Geometry & MOs

Info

ID:	257518
PubChem CID:	103146764
Reduced:	NO2F3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	312.08524
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	1.46
IP(EA), eV:	-9.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-ethyl-5-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C2C=CC=NC2=C1)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations