Geometry & MOs

Info

ID:	6176
PubChem CID:	67357
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	8.06
IP(EA), eV:	-10.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylbenzoyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations