Geometry & MOs

Info

ID:	207681
PubChem CID:	80437503
Reduced:	OCl2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	306.01862
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	2.62
IP(EA), eV:	-9.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(3-chloro-5-methylhexyl)-5-fluorobenzene

Drug info:

PubChemData

Smile

CC(C)CC(CCC1=C(C=CC=C1Cl)Cl)O

DOS

IR

Vibrations