Geometry & MOs

Info

ID:	54311
PubChem CID:	16977911
Reduced:	ClON3C28H38 (1)
Stoich.:	ABC3D28E38 (1)
Weight, g/mol:	433.155705
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	3.71
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1C2=CC=CC=C2N=C1CCNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations