Geometry & MOs

Info

ID:	289626
PubChem CID:	104361353
Reduced:	BrCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	252.091708
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	4.07
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-3-one

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2COC3=CC(=C(C=C3)Br)CCl)Cl

DOS

IR

Vibrations