Geometry & MOs

Info

ID:	294333
PubChem CID:	117453372
Reduced:	F2N2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	282.064057
ΔH_f, kcal/mol:	-140.34
Dipole, Da:	3.16
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-furo[2,3-f][1]benzofuran-4-yl-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1C3=NOC(=C3)N)OCCO2)(F)F

DOS

IR

Vibrations