Geometry & MOs

Info

ID:	239974
PubChem CID:	93375427
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	169.121512
ΔH_f, kcal/mol:	1.26
Dipole, Da:	2.29
IP(EA), eV:	-9.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-2-cyanopropyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations