Geometry & MOs

Info

ID:	259430
PubChem CID:	103165708
Reduced:	ClOBr2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	294.09831
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	3.78
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)Cl)C(CC2CCC2)Br

DOS

IR

Vibrations