Geometry & MOs

Info

ID:	29649
PubChem CID:	836159
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	279.134482
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	4.26
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1,3-bis(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)C

DOS

IR

Vibrations