Geometry & MOs

Info

ID:	180690
PubChem CID:	76669354
Reduced:	NF3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-278.41
Dipole, Da:	3.65
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-phenyloxan-2-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(OC(C1)C2=CC=C(C=C2)OC(F)(F)F)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations