Geometry & MOs

Info

ID:	6975
PubChem CID:	70852
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	5.58
IP(EA), eV:	-9.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylbenzoyl)benzoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations