Geometry & MOs

Info

ID:	181604
PubChem CID:	76765867
Reduced:	O3C33H46 (1)
Stoich.:	A3B33C46 (1)
Weight, g/mol:	448.297745
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	7.51
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-acetyl-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)CC(C)C)C)C)C)C)O

DOS

IR

Vibrations