Geometry & MOs

Info

ID:	275706
PubChem CID:	103817184
Reduced:	ClO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	324.018081
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=CC(=C1)NC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations