Geometry & MOs

Info

ID:	245545
PubChem CID:	99453796
Reduced:	FION3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	363.099475
ΔH_f, kcal/mol:	25.84
Dipole, Da:	4.82
IP(EA), eV:	-9.0(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)I)C3=CC=CC=C3F

DOS

IR

Vibrations