Geometry & MOs

Info

ID:	402032
PubChem CID:	135053942
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-131.81
Dipole, Da:	5.01
IP(EA), eV:	-8.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C=C)C(=O)N2CCOCC2)O

DOS

IR

Vibrations