Geometry & MOs

Info

ID:	272294
PubChem CID:	103738067
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	250.047773
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	6.27
IP(EA), eV:	-9.63(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations