Geometry & MOs

Info

ID:	184438
PubChem CID:	77160225
Reduced:	ClNO3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	417.266779
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	7.09
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyl-1-[4-(dimethylamino)phenyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(CC(=O)C2=CC(=NC=C2)C)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations