Geometry & MOs

Info

ID:	214292
PubChem CID:	84974939
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	381.192666
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	4.15
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations