Geometry & MOs

Info

ID:	214278
PubChem CID:	84974890
Reduced:	FON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	352.202502
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	4.57
IP(EA), eV:	-8.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=CC=C2F

DOS

IR

Vibrations