Geometry & MOs

Info

ID:	436010
PubChem CID:	135193335
Reduced:	O2F3N5C21H24 (1)
Stoich.:	A2B3C5D21E24 (1)
Weight, g/mol:	372.111007
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	4.21
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3E,4E)-3,4-di(ethylidene)-2,5-dioxopyrrolidin-1-yl]phenyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CC2=NC(=CN2C34C1C(C3)(C4)N5CCOCC5)C6=CC(=C(N=C6)N)OC(F)(F)F

DOS

IR

Vibrations