Geometry & MOs

Info

ID:	12234
PubChem CID:	133397
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	1.31
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-13-methyl-17-(methylamino)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16-diol

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC(C2NC)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations