Geometry & MOs

Info

ID:	72101
PubChem CID:	48415813
Reduced:	ClON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	4.59
Dipole, Da:	1.85
IP(EA), eV:	-8.99(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations