Geometry & MOs

Info

ID:	222500
PubChem CID:	85300930
Reduced:	NOSH19C22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	345.17625
ΔH_f, kcal/mol:	95.48
Dipole, Da:	0.81
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-heptyl-2-methyl-6-thiophen-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C=NC(=CC2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations