Geometry & MOs

Info

ID:	154811
PubChem CID:	56314336
Reduced:	BrO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	455.04807
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	3.65
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations