Geometry & MOs

Info

ID:	7937
PubChem CID:	74492
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	6.9
IP(EA), eV:	-10.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations