Geometry & MOs

Info

ID:	61445
PubChem CID:	26709472
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	391.199723
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	1.49
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations