Geometry & MOs

Info

ID:	186212
PubChem CID:	77405402
Reduced:	FNOC24H30 (1)
Stoich.:	ABCD24E30 (1)
Weight, g/mol:	383.201592
ΔH_f, kcal/mol:	127.89
Dipole, Da:	6.35
IP(EA), eV:	-7.55(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-chloropyridin-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=C(C=C5)F)C)O

DOS

IR

Vibrations