Geometry & MOs

Info

ID:	25440
PubChem CID:	625083
Reduced:	NiP2C22H38 (1)
Stoich.:	AB2C22D38 (1)
Weight, g/mol:	302.260966
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	7.28
IP(EA), eV:	-5.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)P(C1=CC=CC=C1P(C(C)C)C(C)C)C(C)C.[CH2-][CH-][CH-][CH2-].[Ni]

DOS

IR

Vibrations