Geometry & MOs

Info

ID:	289625
PubChem CID:	104361080
Reduced:	ClNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	385.9476
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	3.71
IP(EA), eV:	-8.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-bromo-3-(chloromethyl)phenoxy]methyl]-5-chloro-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CC(CN)CSCC1=CC(=CC2=C1OCC2)Cl

DOS

IR

Vibrations