Geometry & MOs

Info

ID:	257525
PubChem CID:	103146814
Reduced:	O2F3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	251.088161
ΔH_f, kcal/mol:	-207.99
Dipole, Da:	6.05
IP(EA), eV:	-10.33(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,2,4-triazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C#CCCC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations