Geometry & MOs

Info

ID:	292698
PubChem CID:	117357223
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	7.56
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylbenzimidazol-4-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2N1)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations