Geometry & MOs

Info

ID:	372008
PubChem CID:	131286066
Reduced:	NSO3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	234.019605
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	4.44
IP(EA), eV:	-11.1(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-3-oxo-4H-pyridazine-4-carbaldehyde

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](CS1(=O)=O)O)CCC#N

DOS

IR

Vibrations