Geometry & MOs

Info

ID:	259454
PubChem CID:	103165910
Reduced:	BrC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	335.99503
ΔH_f, kcal/mol:	30.1
Dipole, Da:	2.28
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-5-methylthiophene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CC=CC3=CC=CC=C32)Br

DOS

IR

Vibrations