Geometry & MOs

Info

ID:	260852
PubChem CID:	103206988
Reduced:	OF3N5C10H16 (1)
Stoich.:	AB3C5D10E16 (1)
Weight, g/mol:	293.146345
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	3.21
IP(EA), eV:	-8.46(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-1,2,4-triazol-3-yl]piperazine

Drug info:

PubChemData

Smile

C1CNCCN(C1)C2=NNC(=N2)COCC(F)(F)F

DOS

IR

Vibrations