Geometry & MOs

Info

ID:	327494
PubChem CID:	126690106
Reduced:	O5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-193.44
Dipole, Da:	3.85
IP(EA), eV:	-9.22(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-3-(2-methylbenzoyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCC(COC(C(=C)C)O)(COC(=C)C(=C)C)COC(=O)C(=C)C

DOS

IR

Vibrations