Geometry & MOs

Info

ID:	20965
PubChem CID:	586452
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	2.2
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-methylpropanoylamino)benzoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations