Geometry & MOs

Info

ID:	329552
PubChem CID:	126738095
Reduced:	OC20H34 (1)
Stoich.:	AB20C34 (1)
Weight, g/mol:	342.292266
ΔH_f, kcal/mol:	-100.19
Dipole, Da:	2.18
IP(EA), eV:	-9.03(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5b,8,11a-trimethyl-1,2,3,3a,4,5,5a,6,7,7a,8,10,11,11b,12,13,13a,13b-octadecahydrocyclopenta[a]chrysen-9-one

Drug info:

PubChemData

Smile

CC1CC=C2C(C1(C)CCC(C)O)CCC3C2(CCC3)C

DOS

IR

Vibrations