Geometry & MOs

Info

ID:	292694
PubChem CID:	117357202
Reduced:	N2O3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	242.069142
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	6.41
IP(EA), eV:	-8.7(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-1-benzofuran-6-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=C(C=C2)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations