Geometry & MOs

Info

ID:	22262
PubChem CID:	596444
Reduced:	OCl2N3H5C7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	216.980967
ΔH_f, kcal/mol:	16.91
Dipole, Da:	4.31
IP(EA), eV:	-9.99(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dichloro-6-oxopyridazin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=NN(C(=O)C(=C1Cl)Cl)CCC#N

DOS

IR

Vibrations