Geometry & MOs

Info

ID:	1948
PubChem CID:	5410
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-174.2
Dipole, Da:	6.74
IP(EA), eV:	-9.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

DOS

IR

Vibrations