Geometry & MOs

Info

ID:	207941
PubChem CID:	80472859
Reduced:	ClSC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	12.24
Dipole, Da:	1.63
IP(EA), eV:	-9.04(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyethyl)-3-bicyclo[3.1.0]hexanyl]methanol

Drug info:

PubChemData

Smile

C1C2C1CC(C2)(CCC3=CC=CS3)CCl

DOS

IR

Vibrations