Geometry & MOs

Info

ID:	21507
PubChem CID:	588714
Reduced:	ClON3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	183.019939
ΔH_f, kcal/mol:	23.6
Dipole, Da:	4.84
IP(EA), eV:	-9.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-6-oxopyridazin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=O)N(N=C1Cl)CCC#N

DOS

IR

Vibrations