Geometry & MOs

Info

ID:	181605
PubChem CID:	76765868
Reduced:	O3C30H40 (1)
Stoich.:	A3B30C40 (1)
Weight, g/mol:	539.339944
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	4.06
IP(EA), eV:	-8.54(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-11-(3-pyridin-3-ylpropanoyl)-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)C)C)C)C)C)O

DOS

IR

Vibrations