Geometry & MOs

Info

ID:	380508
PubChem CID:	134970974
Reduced:	IPO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	296.162783
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	2.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756985
Charge, e:	0

Chem-info

IUPAC name:

6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhexa-1,4-diyn-3-ol

Drug info:

PubChemData

Smile

CC(C)(OCCO)O[P+](C1=CC=CC=C1)(C2=CC=CC=C2)I

DOS

IR

Vibrations