Geometry & MOs

Info

ID:	270880
PubChem CID:	103638522
Reduced:	ON5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	315.028932
ΔH_f, kcal/mol:	32.41
Dipole, Da:	4.99
IP(EA), eV:	-10.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)CN1C=NC=N1

DOS

IR

Vibrations