Geometry & MOs

Info

ID:	367919
PubChem CID:	127326092
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	51.84
Dipole, Da:	6.02
IP(EA), eV:	-8.82(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)C2=CC=CC=C2)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations