Geometry & MOs

Info

ID:	404393
PubChem CID:	135066153
Reduced:	O2N3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	51.33
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(2,5-dimethylfuran-3-yl)prop-2-enyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(C(=NC=C2)C)C(=O)NC3=CC=CC=C3C4=NCCO4

DOS

IR

Vibrations