Geometry & MOs

Info

ID:	270485
PubChem CID:	103636796
Reduced:	OSN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	7.92
Dipole, Da:	5.12
IP(EA), eV:	-9.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N(C)CC#N

DOS

IR

Vibrations