Geometry & MOs

Info

ID:	26920
PubChem CID:	804387
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	340.069536
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	5.19
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)O

DOS

IR

Vibrations