Geometry & MOs

Info

ID:	302586
PubChem CID:	124385201
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	347.224915
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	2.38
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,10R,13S,14R)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCN[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations