Geometry & MOs

Info

ID:	259446
PubChem CID:	103165830
Reduced:	OBr2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	405.99661
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-ethoxybenzene

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Br)C(CC2CCC2)Br

DOS

IR

Vibrations