Geometry & MOs

Info

ID:	18663
PubChem CID:	545565
Reduced:	OC28H48 (1)
Stoich.:	AB28C48 (1)
Weight, g/mol:	400.370516
ΔH_f, kcal/mol:	-127.55
Dipole, Da:	1.94
IP(EA), eV:	-9.06(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C

DOS

IR

Vibrations