Geometry & MOs

Info

ID:	56418
PubChem CID:	17425396
Reduced:	ClO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	42.57
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)C(C)ON3C4=C(C=CC(=C4)Cl)N=N3

DOS

IR

Vibrations