Geometry & MOs

Info

ID:	9099
PubChem CID:	85982
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	400.26136
ΔH_f, kcal/mol:	-131.22
Dipole, Da:	4.06
IP(EA), eV:	-8.15(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCOC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C(=O)C)OC(=O)C)C

DOS

IR

Vibrations