Geometry & MOs

Info

ID:	24416
PubChem CID:	610000
Reduced:	OC30H52 (1)
Stoich.:	AB30C52 (1)
Weight, g/mol:	428.401816
ΔH_f, kcal/mol:	-138.68
Dipole, Da:	3.47
IP(EA), eV:	-9.36(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2(C1(CCC3C2C(=O)CC4C3(CCCC4(C)C)C)C)C

DOS

IR

Vibrations