Geometry & MOs

Info

ID:	143759
PubChem CID:	53256880
Reduced:	OCl2N2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	391.054611
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	1.97
IP(EA), eV:	-9.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-thiophen-3-ylacetonitrile

Drug info:

PubChemData

Smile

C1CNCCC1NC(=O)C2=CC(=CC=C2)Cl.Cl

DOS

IR

Vibrations