Geometry & MOs

Info

ID:	394087
PubChem CID:	135022309
Reduced:	BrO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	430.11436
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	2.03
IP(EA), eV:	-8.34(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4,5-dimethoxy-2-[1-(4-methylphenyl)hept-2-ynoxymethyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2(CCCCC2)OCC3=CC(=C(C=C3Br)OC)OC

DOS

IR

Vibrations