Geometry & MOs

Info

ID:	50117
PubChem CID:	12012621
Reduced:	ClO2N3H12C21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	417.01129
ΔH_f, kcal/mol:	58.86
Dipole, Da:	4.29
IP(EA), eV:	-8.88(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C(=C(C(=C3O2)C4=CC=CC=C4Cl)C#N)N)C#N

DOS

IR

Vibrations