Geometry & MOs

Info

ID:	211729
PubChem CID:	81051140
Reduced:	ClBr2F2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	321.97715
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	1.11
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(2-chloro-4-fluoro-5-methylphenyl)methyl]-1,4-dioxane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=C(C=CC(=C2)Br)F)Br

DOS

IR

Vibrations