Geometry & MOs

Info

ID:	186217
PubChem CID:	77405407
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	399.237371
ΔH_f, kcal/mol:	165.32
Dipole, Da:	6.24
IP(EA), eV:	-6.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[5-(difluoromethyl)pyridin-3-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC(=C5)C#N)C)O

DOS

IR

Vibrations