Geometry & MOs

Info

ID:	233425
PubChem CID:	90271495
Reduced:	NO6C33H41 (1)
Stoich.:	AB6C33D41 (1)
Weight, g/mol:	288.05219
ΔH_f, kcal/mol:	-176.87
Dipole, Da:	3.49
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCCCCCCOC1=C(C=C(C=C1)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N)OC

DOS

IR

Vibrations