Geometry & MOs

Info

ID:	268622
PubChem CID:	103600235
Reduced:	INO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	317.017889
ΔH_f, kcal/mol:	-74.2
Dipole, Da:	4.28
IP(EA), eV:	-9.09(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCCN2C(=O)C3=C(C=CC(=C3)I)O

DOS

IR

Vibrations