Geometry & MOs

Info

ID:	17413
PubChem CID:	496610
Reduced:	SiO4C27H46 (1)
Stoich.:	AB4C27D46 (1)
Weight, g/mol:	462.316536
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	3.75
IP(EA), eV:	-8.63(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(1,3-dioxolan-2-yl)-2-tri(propan-2-yl)silyloxyhept-3-ynyl]-5-methylcyclohept-4-en-1-one

Drug info:

PubChemData

Smile

CC1=CCC(C(=O)CC1)CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations