Geometry & MOs

Info

ID:	259458
PubChem CID:	103165982
Reduced:	BrClSC14H14 (1)
Stoich.:	ABCD14E14 (1)
Weight, g/mol:	350.060713
ΔH_f, kcal/mol:	25.29
Dipole, Da:	2.72
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichloro-2-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-5-ethoxybenzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CSC3=C2C=CC=C3Br)Cl

DOS

IR

Vibrations