Geometry & MOs

Info

ID:	239980
PubChem CID:	93375443
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-4.68
Dipole, Da:	6.57
IP(EA), eV:	-9.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C(=O)[C@H](CC1=CC=CC=C1)N)C#N

DOS

IR

Vibrations