Geometry & MOs

Info

ID:	259437
PubChem CID:	103165731
Reduced:	BrOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	282.06193
ΔH_f, kcal/mol:	-28.77
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromo-2-cyclobutylethyl)-4-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations