Geometry & MOs

Info

ID:

392890

PubChem CID:

135018320

Reduced:

PC26H42 (1)

Stoich.:

AB26C42 (1)

Weight, g/mol:

384.294588

ΔHf, kcal/mol:

-57.8

Dipole, Da:

0.98

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.755583

Charge, e:

0

Chem-info

IUPAC name:

dicyclohexyl(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)phosphane

Drug info:

PubChemData

Smile

C1CCC(CC1)[PH+](C2CCCCC2)C34CC5CC6C3CC7CC6C(C5)C4C7

DOS

IR

Vibrations