Geometry & MOs

Info

ID:	349257
PubChem CID:	127274983
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	13.86
Dipole, Da:	4.86
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CSC=N4

DOS

IR

Vibrations