Geometry & MOs

Info

ID:	186211
PubChem CID:	77405401
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	367.231143
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	6.04
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(6-fluoropyridin-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

CC(=O)NC1=CN=CC(=C1)C2=CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

DOS

IR

Vibrations