Geometry & MOs

Info

ID:	195504
PubChem CID:	78695017
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	402.218152
ΔH_f, kcal/mol:	8.17
Dipole, Da:	3.96
IP(EA), eV:	-8.29(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCC(=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations