Geometry & MOs

Info

ID:	275723
PubChem CID:	103817260
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	4.61
IP(EA), eV:	-9.65(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(4-methylphenyl)propyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N(C)C(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations