Geometry & MOs

Info

ID:	410731
PubChem CID:	135083532
Reduced:	ON2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	236.086871
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785679
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC\1(CC(=O)N/[N+]1=C\C2CCCCC2)C

DOS

IR

Vibrations