Geometry & MOs

Info

ID:	200863
PubChem CID:	79455263
Reduced:	ClOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	415.86092
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	1.82
IP(EA), eV:	-9.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-bis(bromomethyl)butyl]-2-bromo-1-fluorobenzene

Drug info:

PubChemData

Smile

CCOCCC(CBr)(CBr)C1=CC=CC=C1Cl

DOS

IR

Vibrations