Geometry & MOs

Info

ID:	289661
PubChem CID:	104364232
Reduced:	OBr2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-42.93
Dipole, Da:	4.96
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-ethylazetidin-3-ol

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC2=C1OCC2)Br)C(C)Br

DOS

IR

Vibrations