Geometry & MOs

Info

ID:	286533
PubChem CID:	104170927
Reduced:	ClOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	367.96097
ΔH_f, kcal/mol:	-50.42
Dipole, Da:	2.56
IP(EA), eV:	-9.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-2-(bromomethyl)-4-methoxypentan-2-yl]-4-fluorobenzene

Drug info:

PubChemData

Smile

CC(CC(CBr)(CBr)C1=CC=C(C=C1)Cl)OC

DOS

IR

Vibrations