Geometry & MOs

Info

ID:	25311
PubChem CID:	622708
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	448.246104
ΔH_f, kcal/mol:	0.48
Dipole, Da:	3.51
IP(EA), eV:	-8.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,12-diacetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2OC)OC)N=C1C3=CC=CC=C3

DOS

IR

Vibrations