Geometry & MOs

Info

ID:	268639
PubChem CID:	103600281
Reduced:	ClO2N4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	10.8
Dipole, Da:	5.37
IP(EA), eV:	-9.69(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-6-oxo-N-phenyl-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=NNC(=O)C=C2)Cl)C#N

DOS

IR

Vibrations