Geometry & MOs

Info

ID:	412687
PubChem CID:	135085601
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	245.98945
ΔH_f, kcal/mol:	-1.63
Dipole, Da:	4.23
IP(EA), eV:	-8.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;pent-3-ynylbenzene;bromide

Drug info:

PubChemData

Smile

CCOC#CC1=CC(=CC=C1)OC

DOS

IR

Vibrations