Geometry & MOs

Info

ID:	154704
PubChem CID:	56314209
Reduced:	BrO3N4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	483.07937
ΔH_f, kcal/mol:	6.45
Dipole, Da:	10.15
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations