Geometry & MOs

Info

ID:	275731
PubChem CID:	103817308
Reduced:	ClN4O4C12H13 (1)
Stoich.:	AB4C4D12E13 (1)
Weight, g/mol:	310.002431
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	4.57
IP(EA), eV:	-10.18(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoyl-3-chlorophenyl)-5-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations