Geometry & MOs

Info

ID:	287453
PubChem CID:	104242621
Reduced:	BrClC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	234.06193
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	1.49
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-bromo-4-methoxybutyl)cyclopentane

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCC2=CC=CC=C2Cl)Br

DOS

IR

Vibrations