Geometry & MOs

Info

ID:	49163
PubChem CID:	11528777
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-106.05
Dipole, Da:	3.96
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-oxido-3-pentoxybenzimidazol-1-ium

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/OCCCCO

DOS

IR

Vibrations