Geometry & MOs

Info

ID:	426382
PubChem CID:	135143678
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	405.266779
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	2.43
IP(EA), eV:	-8.38(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(C(C)C)NC=C)N1CCOCC1

DOS

IR

Vibrations