Geometry & MOs

Info

ID:	336643
PubChem CID:	127255650
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	326.103335
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	5.43
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C(C=CN2C1=O)OCC3=CC=CC=C3

DOS

IR

Vibrations