Geometry & MOs

Info

ID:	275516
PubChem CID:	103816494
Reduced:	BrClN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	368.95158
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	6.78
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(N=C2)Cl)Br)OC

DOS

IR

Vibrations