Geometry & MOs

Info

ID:	257624
PubChem CID:	103147459
Reduced:	O2F3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	294.155512
ΔH_f, kcal/mol:	-220.43
Dipole, Da:	4.7
IP(EA), eV:	-10.43(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-diethylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C#CCC(CCOCC(F)(F)F)O

DOS

IR

Vibrations