Geometry & MOs

Info

ID:	299066
PubChem CID:	117670465
Reduced:	O2N5C8H11 (1)
Stoich.:	A2B5C8D11 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	28.99
Dipole, Da:	3.83
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino (2S)-3-(3-acetylphenyl)-2-aminopropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations