Geometry & MOs

Info

ID:	129647
PubChem CID:	51073456
Reduced:	FON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	3.91
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations