Geometry & MOs

Info

ID:	6901
PubChem CID:	70428
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-164.08
Dipole, Da:	4.7
IP(EA), eV:	-9.4(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC1=C(C2(CCC3C(C2C1)CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)C

DOS

IR

Vibrations