Geometry & MOs

Info

ID:	28872
PubChem CID:	830178
Reduced:	N2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	71.45
Dipole, Da:	10.88
IP(EA), eV:	-8.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4CCCC4)C#N

DOS

IR

Vibrations