Geometry & MOs

Info

ID:	266019
PubChem CID:	103557652
Reduced:	ClOBr2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	266.107357
ΔH_f, kcal/mol:	-34.1
Dipole, Da:	3.45
IP(EA), eV:	-9.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=C(C=CC(=C2)Br)Br)Cl

DOS

IR

Vibrations