Geometry & MOs

Info

ID:	1129
PubChem CID:	3825
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	6.05
IP(EA), eV:	-10.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzoylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations