Geometry & MOs

Info

ID:	183659
PubChem CID:	77051490
Reduced:	BrClOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	202.112443
ΔH_f, kcal/mol:	1.98
Dipole, Da:	1.81
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobut-2-enoxy)-4-methylcyclohexane

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1OCC=CCCl

DOS

IR

Vibrations