Geometry & MOs

Info

ID:	140524
PubChem CID:	52715007
Reduced:	O2N4C20H25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	5.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111349
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide

Drug info:

PubChemData

Smile

C[NH+](C)CCOC1=CC=CC=C1C(=O)NCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations