Geometry & MOs

Info

ID:	24991
PubChem CID:	616286
Reduced:	Cl3N3O3H8C13 (1)
Stoich.:	A3B3C3D8E13 (1)
Weight, g/mol:	358.963124
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	2.63
IP(EA), eV:	-9.29(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(4-chlorophenyl)-4-methyl-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1[N+](=O)[O-])Cl)Cl)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations