Geometry & MOs

Info

ID:	259455
PubChem CID:	103165918
Reduced:	BrClOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	308.190693
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	3.38
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-4-(2-methylbutan-2-yl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations