Geometry & MOs

Info

ID:	24736
PubChem CID:	612819
Reduced:	OC31H52 (1)
Stoich.:	AB31C52 (1)
Weight, g/mol:	440.401816
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	1.54
IP(EA), eV:	-8.88(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-1,2,4a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC)C)C)C2C1C)C)C

DOS

IR

Vibrations