Geometry & MOs

Info

ID:	275732
PubChem CID:	103817315
Reduced:	ClON2H4C6 (2)
Stoich.:	ABC2D4E6 (2)
Weight, g/mol:	323.059217
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	5.08
IP(EA), eV:	-9.63(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=N2)Cl)Cl)C(=O)N

DOS

IR

Vibrations