Geometry & MOs

Info

ID:	433353
PubChem CID:	135173490
Reduced:	SO3N4C30H36 (1)
Stoich.:	AB3C4D30E36 (1)
Weight, g/mol:	145.089149
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	3.92
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-methylidene-1,2-dihydroisoindole

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(C)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O

DOS

IR

Vibrations