Geometry & MOs

Info

ID:	259449
PubChem CID:	103165864
Reduced:	ClO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	352.10379
ΔH_f, kcal/mol:	-99.7
Dipole, Da:	2.63
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-2,2-dimethyl-3H-1-benzofuran

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=C(C=CC(=C2)C)OCC)Cl

DOS

IR

Vibrations