Geometry & MOs

Info

ID:	352905
PubChem CID:	127283995
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	4.32
IP(EA), eV:	-9.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3)N4C=NC=N4

DOS

IR

Vibrations