Geometry & MOs

Info

ID:	259412
PubChem CID:	103165510
Reduced:	Br2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	274.079429
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	1.62
IP(EA), eV:	-9.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=C(C=C(C(=C2)Br)C)Br)O

DOS

IR

Vibrations