Geometry & MOs

Info

ID:

88758

PubChem CID:

49956523

Reduced:

ClON2C3H6 (1)

Stoich.:

ABC2D3E6 (1)

Weight, g/mol:

296.062436

ΔHf, kcal/mol:

3.7

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;chloride

Drug info:

PubChemData

Smile

C1CNNC1=O.[Cl-]

DOS

IR

Vibrations