Geometry & MOs

Info

ID:	372727
PubChem CID:	131303356
Reduced:	FNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	279.94212
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	3.59
IP(EA), eV:	-8.45(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(chloromethyl)-1-(3-chloropropyl)benzene

Drug info:

PubChemData

Smile

C1C(CC1F)COC2=CC=CC(=C2)N

DOS

IR

Vibrations