Geometry & MOs

Info

ID:	71873
PubChem CID:	48415561
Reduced:	OS2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	419.175753
ΔH_f, kcal/mol:	72.76
Dipole, Da:	2.11
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations