Geometry & MOs

Info

ID:	343589
PubChem CID:	127266762
Reduced:	OF3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	275.154624
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	5.1
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-5-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC2=CC=CC=C2OCC(F)(F)F

DOS

IR

Vibrations