Geometry & MOs

Info

ID:	4623
PubChem CID:	11754
Reduced:	OC27H44 (1)
Stoich.:	AB27C44 (1)
Weight, g/mol:	384.339216
ΔH_f, kcal/mol:	-114.87
Dipole, Da:	4.09
IP(EA), eV:	-9.36(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C

DOS

IR

Vibrations