Geometry & MOs

Info

ID:	275684
PubChem CID:	103817062
Reduced:	ClN4O4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	276.041403
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	5.34
IP(EA), eV:	-9.66(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(C)C(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations