Geometry & MOs

Info

ID:	192807
PubChem CID:	78314151
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	234.124252
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	4.45
IP(EA), eV:	-8.65(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(1H-benzimidazol-1-ium-2-yl)ethyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=NC(=O)C(=CC12)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations