Accuracy

methyl carbamate   1050 Methyl carbamate

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1040 Nitrogen dioxideNO2
  1041 Nitrogen dioxide (Geo)NO2
  1042 Nitrous acid (cis)(https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1043 Nitrous acid (trans) (https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1044 Nitrous acid, cisHNO2
  1045 Nitrous acid, transHNO2
  1046 Methyl nitriteCH3NO2
  1047 NitromethaneCH3NO2
  1048 Ethyl nitriteC2H5NO2
  1049 GlycineC2H5NO2
  1050 Methyl carbamate C2H5NO2
  1051 NitroethaneC2H5NO2
  1052 AlanineC3H7NO2
  1053 beta-AlanineC3H7NO2
  1054 IsopropylnitriteC3H7NO2
  1055 N-MethylglycineC3H7NO2
  1056 Propyl nitriteC3H7NO2
  1057 UrethaneC3H7NO2
  1058 Methyl cyanoacetateC4H5NO2
  1059 SuccinimideC4H5NO2
  1060 2-NitrobutaneC4H9NO2


ΔHf: -101.6 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

Methyl carbamate
 H=-101.6 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20951340 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.37376325 +1  125.7470267 +1    0.0000000 +0     2     1     0
  O     1.37073882 +1  124.6822783 +1 -179.9992640 +1     2     1     3
  C     1.42576247 +1  113.9724376 +1    0.0280427 +1     4     2     1
  H     0.99671361 +1  121.9431478 +1  179.9961904 +1     3     2     1
  H     0.99945330 +1  119.7219544 +1 -179.9827265 +1     3     2     6
  H     1.09605288 +1  110.2555573 +1  -61.6975822 +1     5     4     2
  H     1.09602780 +1  110.3542149 +1  122.2091570 +1     5     4     8
  H     1.09665036 +1  102.5501951 +1  118.9464073 +1     5     4     9