Geometry & MOs

Info

ID:	10382
PubChem CID:	101386
Reduced:	O3H10C14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	226.062994
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	6.42
IP(EA), eV:	-10.25(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations