Geometry & MOs

Info

ID:	207944
PubChem CID:	80473142
Reduced:	ClNSC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	328.02296
ΔH_f, kcal/mol:	25.18
Dipole, Da:	2.42
IP(EA), eV:	-9.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromophenoxy)ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1C2C1CC(C2)(CC3=NC=CS3)CCl

DOS

IR

Vibrations