Geometry & MOs

Info

ID:	207836
PubChem CID:	80458256
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	268.06147
ΔH_f, kcal/mol:	-47.29
Dipole, Da:	7.69
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(chloromethyl)-6-methoxybenzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CN1CCCCC1CNC2=C(C=CC(=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations