Geometry & MOs

Info

ID:	275670
PubChem CID:	103817004
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	295.015997
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	5.28
IP(EA), eV:	-9.48(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-fluorophenyl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations