Geometry & MOs

Info

ID:	393610
PubChem CID:	135021201
Reduced:	Si2O4C31H50 (1)
Stoich.:	A2B4C31D50 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-298.58
Dipole, Da:	6.65
IP(EA), eV:	-8.53(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9R,11R)-8,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C[C@@H]3[C@H]2C=C[C@H]4[C@@]3(C[C@H](OC4=O)CO[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations