Geometry & MOs

Info

ID:	190157
PubChem CID:	77959946
Reduced:	O3C31H48 (1)
Stoich.:	A3B31C48 (1)
Weight, g/mol:	456.32396
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	8.32
IP(EA), eV:	-9.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4,6a,6b,8a,12,14b-hexamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5C)CC(=O)O)C)C)C2C1C)C)C

DOS

IR

Vibrations