Geometry & MOs

Info

ID:	263764
PubChem CID:	103396317
Reduced:	BrClFO2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	469.81511
ΔH_f, kcal/mol:	-144.2
Dipole, Da:	4.67
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-[bromo-(3-bromo-5-fluorophenyl)methyl]-2-fluoro-4-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CCC2CCCCO2)Cl)Br)F

DOS

IR

Vibrations