Geometry & MOs

Info

ID:	382582
PubChem CID:	134973837
Reduced:	NO3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	413.162708
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	2.09
IP(EA), eV:	-8.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[(1,3-dioxoisoindol-2-yl)methyl]-4,5-dimethylphenyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=CC=CC=C2OC)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations