Geometry & MOs

Info

ID:	669
PubChem CID:	3170
Reduced:	O3C23H36 (1)
Stoich.:	A3B23C36 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-190.82
Dipole, Da:	1.89
IP(EA), eV:	-9.67(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C)C)C

DOS

IR

Vibrations