Geometry & MOs

Info

ID:	239981
PubChem CID:	93375444
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-5.91
Dipole, Da:	2.51
IP(EA), eV:	-9.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-N-[(2S)-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