Geometry & MOs

Info

ID:	195844
PubChem CID:	78742354
Reduced:	FSN2O5C17H17 (1)
Stoich.:	ABC2D5E17F17 (1)
Weight, g/mol:	322.160518
ΔH_f, kcal/mol:	-189.08
Dipole, Da:	7.82
IP(EA), eV:	-9.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)F

DOS

IR

Vibrations