Geometry & MOs

Info

ID:	380241
PubChem CID:	134970620
Reduced:	O5C12H12 (1)
Stoich.:	A5B12C12 (1)
Weight, g/mol:	410.24571
ΔH_f, kcal/mol:	-166.77
Dipole, Da:	4.0
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dimethyloct-6-enyl)-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(=C)C(=O)O)C(=O)O

DOS

IR

Vibrations