Geometry & MOs

Info

ID:	257616
PubChem CID:	103147368
Reduced:	ClF3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	296.134777
ΔH_f, kcal/mol:	-289.45
Dipole, Da:	7.36
IP(EA), eV:	-8.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-propan-2-ylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(CCOCC(F)(F)F)O)Cl

DOS

IR

Vibrations