Geometry & MOs

Info

ID:	10436
PubChem CID:	101900
Reduced:	NOC23H33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	339.256215
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	4.84
IP(EA), eV:	-7.68(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=C4)N5CCCC5)C

DOS

IR

Vibrations