Geometry & MOs

Info

ID:	28562
PubChem CID:	828367
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	347.01571
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	1.98
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl-[(4-bromophenyl)methyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3Cl

DOS

IR

Vibrations