Geometry & MOs

Info

ID:	41205
PubChem CID:	8145453
Reduced:	FOSN6C19H21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	340.193949
ΔH_f, kcal/mol:	56.41
Dipole, Da:	1.97
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2-methylphenyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations