Geometry & MOs

Info

ID:	268629
PubChem CID:	103600251
Reduced:	INO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	246.021147
ΔH_f, kcal/mol:	-39.35
Dipole, Da:	3.3
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=CC(=C1)I)O)C2=CC=CC=C2

DOS

IR

Vibrations