Geometry & MOs

Info

ID:	137266
PubChem CID:	52179984
Reduced:	ON2H20C24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	69.38
Dipole, Da:	2.13
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-1-(4-cyanophenyl)ethyl]-ethylamino]-N-(phenylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CN([C@H](C1=CC=CC=C1)C2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations