Geometry & MOs

Info

ID:	186213
PubChem CID:	77405403
Reduced:	ClNOC24H30 (1)
Stoich.:	ABCD24E30 (1)
Weight, g/mol:	364.251464
ΔH_f, kcal/mol:	108.63
Dipole, Da:	2.44
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-aminopyridin-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=CC(=CN=C5)Cl)C)O

DOS

IR

Vibrations