Geometry & MOs

Info

ID:	27168
PubChem CID:	818436
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	5.75
IP(EA), eV:	-10.51(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(C(C1(OC)OC)(OC)OC)(C#N)C#N

DOS

IR

Vibrations