Geometry & MOs

Info

ID:	172496
PubChem CID:	75516466
Reduced:	NF3O4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	327.083076
ΔH_f, kcal/mol:	-291.73
Dipole, Da:	6.49
IP(EA), eV:	-9.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,4,4-trifluorobutanoylamino)phenyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)O

DOS

IR

Vibrations