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DHf: -24.8 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 0.1 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 11.5 eV, REF: J. N. Murrell, W. Schmidt, J. Chem. Soc., Faraday Trans. 2, 68, 1709 (1972).
SYMMETRY Propane D=0.08 I=11.5 HR=C&P1970 H=-24.83,0.14 IR=MS1972 DR=NLM1967 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 XX 5.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0 XX 5.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0 C 1.52747878 +1 56.0586946 +1 0.0000000 +0 1 2 3 0.0000 C 1.52747878 +0 56.0586946 +0 180.0000000 +0 1 2 3 0.0000 XX 5.00000000 +0 128.1350829 +1 0.0000000 +0 5 1 2 XX 5.00000000 +0 128.1350829 +0 0.0000000 +0 4 1 2 H 1.10832013 +1 127.0545545 +1 90.0000000 +0 1 2 3 0.0000 H 1.10832013 +0 127.0545545 +0 -90.0000000 +0 1 2 3 0.0000 H 1.09546725 +1 111.2937932 +1 180.0000000 +0 4 1 2 0.0000 H 1.09546725 +0 111.2937932 +0 180.0000000 +0 5 1 2 0.0000 H 1.09564114 +1 53.6260289 +1 90.0000000 +0 4 7 1 0.0000 H 1.09564114 +0 53.6260289 +0 -90.0000000 +0 4 7 1 0.0000 H 1.09564114 +0 53.6260289 +0 -90.0000000 +0 5 6 1 0.0000 H 1.09564114 +0 53.6260289 +0 90.0000000 +0 5 6 1 0.0000