Geometry & MOs

Info

ID:	50123
PubChem CID:	12012628
Reduced:	Cl2O2N3H11C21 (1)
Stoich.:	A2B2C3D11E21 (1)
Weight, g/mol:	435.00187
ΔH_f, kcal/mol:	53.2
Dipole, Da:	4.75
IP(EA), eV:	-8.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(5-bromo-2-fluorophenyl)-7-methoxydibenzofuran-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations