Geometry & MOs

Info

ID:	72352
PubChem CID:	48416077
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	36.26
Dipole, Da:	4.14
IP(EA), eV:	-8.82(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations