Geometry & MOs

Info

ID:	385664
PubChem CID:	134979677
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	430.28718
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	2.55
IP(EA), eV:	-9.68(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10R,13S)-10,13-dimethyl-17-[(E)-3-phenylprop-2-enyl]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)N(C(=O)[C@H]1C[C@H]2C[C@@H]1C=C2)O

DOS

IR

Vibrations