Geometry & MOs

Info

ID:	1338
PubChem CID:	4196
Reduced:	NO2C29H35 (1)
Stoich.:	AB2C29D35 (1)
Weight, g/mol:	429.266779
ΔH_f, kcal/mol:	-18.68
Dipole, Da:	8.37
IP(EA), eV:	-8.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

DOS

IR

Vibrations