Geometry & MOs

Info

ID:	292537
PubChem CID:	115354324
Reduced:	BrClF2H10C17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	403.95983
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	0.68
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[bromo-(3,4-dimethylphenyl)methyl]naphthalene

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1C(C3=C(C=C(C=C3)F)F)Cl

DOS

IR

Vibrations