Geometry & MOs

Info

ID:	145080
PubChem CID:	53457948
Reduced:	FN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	323.212338
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	2.92
IP(EA), eV:	-9.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-N-(1-phenylethyl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)F)C(=O)OCCOC3=CC=CC=C3

DOS

IR

Vibrations