Geometry & MOs

Info

ID:	51386
PubChem CID:	12014044
Reduced:	OC12H21 (2)
Stoich.:	AB12C21 (2)
Weight, g/mol:	506.397534
ΔH_f, kcal/mol:	-54.01
Dipole, Da:	1.1
IP(EA), eV:	-9.62(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S)-4,5-dioctoxy-8-trimethylsilylocta-1,7-diynyl]-trimethylsilane

Drug info:

PubChemData

Smile

CCCCCCCCO[C@@H](CC#C)[C@H](CC#C)OCCCCCCCC

DOS

IR

Vibrations