Geometry & MOs

Info

ID:	275710
PubChem CID:	103817202
Reduced:	ClN3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	238.062139
ΔH_f, kcal/mol:	-86.42
Dipole, Da:	5.72
IP(EA), eV:	-9.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(cyanomethyl)-N-propylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COCCCN(CCOC)C(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations