Geometry & MOs

Info

ID:	436262
PubChem CID:	135196010
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	5.31
IP(EA), eV:	-10.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN=C1)C(C)(C)O

DOS

IR

Vibrations