Geometry & MOs

Info

ID:	191649
PubChem CID:	78172850
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-135.41
Dipole, Da:	3.41
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=CCOC1CCC2C(C1)OC=C(C2=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations