Geometry & MOs

Info

ID:	372788
PubChem CID:	131304740
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	6.74
IP(EA), eV:	-9.36(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5,7-dihydro-4H-thieno[2,3-e]isoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CC2(CCNC2=O)N

DOS

IR

Vibrations