Geometry & MOs

Info

ID:	204356
PubChem CID:	79953266
Reduced:	ION2F3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	250.129298
ΔH_f, kcal/mol:	-176.12
Dipole, Da:	7.84
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)CCC(F)(F)F)I

DOS

IR

Vibrations