Geometry & MOs

Info

ID:	268638
PubChem CID:	103600280
Reduced:	INO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	274.025753
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	3.59
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1=C(C=CC(=C1)I)O

DOS

IR

Vibrations