Geometry & MOs

Info

ID:	50118
PubChem CID:	12012623
Reduced:	BrO2N3H12C21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	345.057198
ΔH_f, kcal/mol:	69.85
Dipole, Da:	5.26
IP(EA), eV:	-8.96(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-methoxy-4-thiophen-3-yldibenzofuran-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations