Geometry & MOs

Info

ID:	194033
PubChem CID:	78472308
Reduced:	NC11H15 (2)
Stoich.:	AB11C15 (2)
Weight, g/mol:	415.238553
ΔH_f, kcal/mol:	86.65
Dipole, Da:	2.25
IP(EA), eV:	-8.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC[NH+](CC=CC1=CC=CC=C1)CC=CC2=CC=CC=C2

DOS

IR

Vibrations