Geometry & MOs

Info

ID:	239979
PubChem CID:	93375440
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-7.82
Dipole, Da:	5.71
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-2-cyanopropyl]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)C1=CC(=C(C=C1)Cl)N)C#N

DOS

IR

Vibrations