Geometry & MOs

Info

ID:	286534
PubChem CID:	104170929
Reduced:	FOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	383.93142
ΔH_f, kcal/mol:	-88.38
Dipole, Da:	2.57
IP(EA), eV:	-9.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations