Geometry & MOs

Info

ID:	413963
PubChem CID:	135086915
Reduced:	IO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	296.02343
ΔH_f, kcal/mol:	54.26
Dipole, Da:	6.2
IP(EA), eV:	-8.51(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-oct-1-ynylsulfanylbenzene

Drug info:

PubChemData

Smile

CC(C)(C#CI1C2=CC=CC=C2C(=O)O1)OCC3=CC=CC=C3

DOS

IR

Vibrations