Geometry & MOs

Info

ID:	259429
PubChem CID:	103165705
Reduced:	OBr2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	381.91577
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	3.95
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(1-bromo-2-cyclobutylethyl)-5-chloro-2-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C(CC2CCC2)Br

DOS

IR

Vibrations