Geometry & MOs

Info

ID:	29381
PubChem CID:	833454
Reduced:	BrO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	338.053886
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	0.83
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2C)Br

DOS

IR

Vibrations