Geometry & MOs

Info

ID:	288042
PubChem CID:	104309824
Reduced:	NCl2O5H7C9 (1)
Stoich.:	AB2C5D7E9 (1)
Weight, g/mol:	260.070954
ΔH_f, kcal/mol:	-118.97
Dipole, Da:	3.98
IP(EA), eV:	-9.85(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])OCC(C(=O)O)Cl

DOS

IR

Vibrations