Geometry & MOs

Info

ID:	25662
PubChem CID:	628229
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	3.38
IP(EA), eV:	-8.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,11-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC1(CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C)C(=O)OC

DOS

IR

Vibrations