Geometry & MOs

Info

ID:	137463
PubChem CID:	52211530
Reduced:	ON3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	395.02694
ΔH_f, kcal/mol:	60.59
Dipole, Da:	5.59
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromobenzoyl)amino]-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

CNC(=O)/C=C/C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations