Geometry & MOs

Info

ID:	154915
PubChem CID:	56314464
Reduced:	BrO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	439.05315
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	4.44
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations