Geometry & MOs

Info

ID:	71922
PubChem CID:	48415620
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	375.114983
ΔH_f, kcal/mol:	14.6
Dipole, Da:	3.14
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=CSC=C3

DOS

IR

Vibrations