Geometry & MOs

Info

ID:	275673
PubChem CID:	103817016
Reduced:	ClF2N3O3H6C12 (1)
Stoich.:	AB2C3D3E6F12 (1)
Weight, g/mol:	275.046154
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	2.7
IP(EA), eV:	-9.62(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-5-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations