Geometry & MOs

Info

ID:	259413
PubChem CID:	103165545
Reduced:	ClSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	250.148828
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	1.95
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-2-cyclobutylethyl)-4-(2-methylpropyl)benzene

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC(=C(S2)Cl)C)O

DOS

IR

Vibrations