Geometry & MOs

Info

ID:	294624
PubChem CID:	117474674
Reduced:	FN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	294.101585
ΔH_f, kcal/mol:	-149.58
Dipole, Da:	2.94
IP(EA), eV:	-8.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)OC)OC)F

DOS

IR

Vibrations