Geometry & MOs

Info

ID:	216955
PubChem CID:	85087031
Reduced:	ClSiO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	318.08306
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	5.6
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-3,3,7,11,11-pentamethyl-1,5-dioxaspiro[5.5]undecan-8-one

Drug info:

PubChemData

Smile

C[Si](C)(C1=CC=CC=C1)C(CC(=O)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations