Geometry & MOs

Info

ID:	260261
PubChem CID:	103186988
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	343.004595
ΔH_f, kcal/mol:	27.35
Dipole, Da:	2.84
IP(EA), eV:	-10.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C2CC2)NC(=O)C3=CN=CC(=N3)Cl

DOS

IR

Vibrations