Geometry & MOs

Info

ID:	292697
PubChem CID:	117357221
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	21.0
Dipole, Da:	1.65
IP(EA), eV:	-8.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1H-benzimidazol-4-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C3=NNC(=C3)C(=O)O)C=N1

DOS

IR

Vibrations