Geometry & MOs

Info

ID:	13503
PubChem CID:	238864
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	4.14
IP(EA), eV:	-8.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-aminophenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)N)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations