Geometry & MOs

Info

ID:	72028
PubChem CID:	48415731
Reduced:	FO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	401.07389
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	2.14
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-bromophenoxy)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3=CC=CC=C3F

DOS

IR

Vibrations