Geometry & MOs

Info

ID:	289499
PubChem CID:	104358453
Reduced:	BrCl2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	451.84041
ΔH_f, kcal/mol:	13.59
Dipole, Da:	2.78
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-[(3-bromo-2-chlorophenyl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=C(C(=CC=C2)Br)Cl)Cl)C

DOS

IR

Vibrations