Geometry & MOs

Info

ID:	412686
PubChem CID:	135085600
Reduced:	BrFO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	3.07
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethoxyethynyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=CBr)F)OC

DOS

IR

Vibrations