Geometry & MOs

Info

ID:	50122
PubChem CID:	12012627
Reduced:	O2F3N3H12C22 (1)
Stoich.:	A2B3C3D12E22 (1)
Weight, g/mol:	407.022832
ΔH_f, kcal/mol:	-93.07
Dipole, Da:	3.62
IP(EA), eV:	-8.93(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2,3-dichlorophenyl)-7-methoxydibenzofuran-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C(=C(C(=C3O2)C4=CC=CC=C4C(F)(F)F)C#N)N)C#N

DOS

IR

Vibrations