Geometry & MOs

Info

ID:	71038
PubChem CID:	48414207
Reduced:	ClO2F3N4H12C13 (1)
Stoich.:	AB2C3D4E12F13 (1)
Weight, g/mol:	341.165188
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	2.07
IP(EA), eV:	-9.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(N=C2)OCC(F)(F)F)Cl

DOS

IR

Vibrations