Geometry & MOs

Info

ID:	275671
PubChem CID:	103817005
Reduced:	ClFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	276.041403
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	3.84
IP(EA), eV:	-9.47(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-5-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations