Geometry & MOs

Info

ID:	270315
PubChem CID:	103636027
Reduced:	OCl2N3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	1.85
Dipole, Da:	5.4
IP(EA), eV:	-10.04(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropyl)-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)C1=C(C=CC(=N1)Cl)Cl

DOS

IR

Vibrations