Geometry & MOs

Info

ID:	186210
PubChem CID:	77405400
Reduced:	NOC26H31 (1)
Stoich.:	ABC26D31 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	2.93
Dipole, Da:	5.77
IP(EA), eV:	-9.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1C3(CC3)CC4C2CCC5(C4CC=C5C6=CN=CC=C6)C

DOS

IR

Vibrations