Geometry & MOs

Info

ID:	259441
PubChem CID:	103165760
Reduced:	BrSC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	342.08306
ΔH_f, kcal/mol:	18.05
Dipole, Da:	2.14
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CC=CS2)Br

DOS

IR

Vibrations