Geometry & MOs

Info

ID:	72069
PubChem CID:	48415780
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	5.14
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCCN(C3)C(=O)C4=CC=CS4

DOS

IR

Vibrations