Geometry & MOs

Info

ID:	143334
PubChem CID:	53192715
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	316.169939
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	6.56
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CN1C=NN=C1C2CCCN(C2)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations