Geometry & MOs

Info

ID:	72111
PubChem CID:	48415823
Reduced:	ON7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	107.87
Dipole, Da:	8.17
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations