Geometry & MOs

Info

ID:	404843
PubChem CID:	135071394
Reduced:	BrO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	524.295801
ΔH_f, kcal/mol:	-1.45
Dipole, Da:	1.75
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylhex-4-enyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/COC/C=C/C2=CC=CC=C2)Br

DOS

IR

Vibrations