Geometry & MOs

Info

ID:	256954
PubChem CID:	103142660
Reduced:	BrOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	310.09323
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	2.29
IP(EA), eV:	-9.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-5-methyloxolane

Drug info:

PubChemData

Smile

CCCC(CC1CCC(O1)C)CBr

DOS

IR

Vibrations