Geometry & MOs

Info

ID:	426020
PubChem CID:	135134900
Reduced:	ClN5H16C19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	137.8
Dipole, Da:	4.22
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)C5CC5)NN1

DOS

IR

Vibrations