Geometry & MOs

Info

ID:	401505
PubChem CID:	135051477
Reduced:	OPC33H41 (1)
Stoich.:	ABC33D41 (1)
Weight, g/mol:	399.87688
ΔH_f, kcal/mol:	25.44
Dipole, Da:	1.81
IP(EA), eV:	-8.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(6-bromo-1,3-benzodioxol-5-yl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)PC2=C(C=C(C=C2)OC)C#CC3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations