Geometry & MOs

Info

ID:	170530
PubChem CID:	75247997
Reduced:	SN3O8C29H29 (1)
Stoich.:	AB3C8D29E29 (1)
Weight, g/mol:	436.26384
ΔH_f, kcal/mol:	-256.76
Dipole, Da:	8.39
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CC4C(CC3(C2)OC(=O)NCC5=CC=CO5)C(=O)N(C4=O)C6=CC=CC=C6)O

DOS

IR

Vibrations