Geometry & MOs

Info

ID:	1282
PubChem CID:	4089
Reduced:	OC9H14 (3)
Stoich.:	AB9C14 (3)
Weight, g/mol:	414.313395
ΔH_f, kcal/mol:	-193.79
Dipole, Da:	4.83
IP(EA), eV:	-9.79(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations