Geometry & MOs

Info

ID:	25455
PubChem CID:	625318
Reduced:	NC27H39 (1)
Stoich.:	AB27C39 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-22.26
Dipole, Da:	1.56
IP(EA), eV:	-8.85(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2NCCC4=CC=CC=C4)CCC5C3(CC=CC5)C

DOS

IR

Vibrations