Geometry & MOs

Info

ID:	421997
PubChem CID:	135116985
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	6.23
IP(EA), eV:	-9.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-phenylethyl)piperidine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations