Geometry & MOs

Info

ID:	401121
PubChem CID:	135050235
Reduced:	SiO2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-193.0
Dipole, Da:	2.15
IP(EA), eV:	-8.96(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,12S)-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8-dien-7-one

Drug info:

PubChemData

Smile

CCC(=O)[C@](C)(C1CCCCC1)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations