Geometry & MOs

Info

ID:	259416
PubChem CID:	103165565
Reduced:	ClSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	238.112443
ΔH_f, kcal/mol:	-9.82
Dipole, Da:	2.55
IP(EA), eV:	-9.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-2-cyclobutylethyl)-4-ethoxybenzene

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(CC2CCC2)Cl

DOS

IR

Vibrations