Geometry & MOs

Info

ID:	84083
PubChem CID:	49864024
Reduced:	NF3O3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	486.19215
ΔH_f, kcal/mol:	-201.15
Dipole, Da:	4.16
IP(EA), eV:	-8.63(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(4-chloro-2,6-dimethyl-3-nitrophenoxy)decyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(OC2=C(C1=O)C=C(C=C2)N)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations