Geometry & MOs

Info

ID:	48938
PubChem CID:	11528497
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	0.76
IP(EA), eV:	-9.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,5-trimethyl-3-oxidobenzimidazol-1-ium 1-oxide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(O2)C(=O)OC

DOS

IR

Vibrations