Geometry & MOs

Info

ID:	68801
PubChem CID:	46509119
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	31.25
Dipole, Da:	4.58
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations