Geometry & MOs

Info

ID:	190158
PubChem CID:	77959947
Reduced:	O4C29H44 (1)
Stoich.:	A4B29C44 (1)
Weight, g/mol:	442.344695
ΔH_f, kcal/mol:	-216.59
Dipole, Da:	12.12
IP(EA), eV:	-9.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC2(C1C3=CC(=O)C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)C

DOS

IR

Vibrations