Geometry & MOs

Info

ID:	178737
PubChem CID:	76373015
Reduced:	SiO3C23H28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	458.172939
ΔH_f, kcal/mol:	-9.27
Dipole, Da:	1.61
IP(EA), eV:	-9.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(4-hydroxy-3-phenylmethoxyoxolan-2-yl)hexa-1,3,5-triynyl]-4-phenylmethoxyoxolan-3-ol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C#CC#CC#CC1C(C(CO1)O)OCC2=CC=CC=C2

DOS

IR

Vibrations