Geometry & MOs

Info

ID:	72230
PubChem CID:	48415949
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	4.67
IP(EA), eV:	-8.97(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations