Geometry & MOs

Info

ID:	85064
PubChem CID:	49871570
Reduced:	N2O5H16C19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	6.43
IP(EA), eV:	-9.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-methyl-1,2-dihydrobenzimidazol-3-ium-2-ide-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CN1[C]N(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations