Geometry & MOs

Info

ID:	1249
PubChem CID:	4042
Reduced:	O2C12H17 (2)
Stoich.:	A2B12C17 (2)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-207.74
Dipole, Da:	3.62
IP(EA), eV:	-9.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC1CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C

DOS

IR

Vibrations