Geometry & MOs

Info

ID:	286528
PubChem CID:	104170913
Reduced:	FOCl2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	363.98604
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	3.44
IP(EA), eV:	-9.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-bis(bromomethyl)-4-methoxypentyl]benzene

Drug info:

PubChemData

Smile

CC(CC(CCl)(CCl)C1=CC=CC=C1F)OC

DOS

IR

Vibrations