Geometry & MOs

Info

ID:	277056
PubChem CID:	103826528
Reduced:	BrClON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	353.97707
ΔH_f, kcal/mol:	10.96
Dipole, Da:	6.59
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(2-methoxypyridin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations