Geometry & MOs

Info

ID:	315322
PubChem CID:	126625622
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	186.052823
ΔH_f, kcal/mol:	-11.42
Dipole, Da:	2.92
IP(EA), eV:	-8.46(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-hydroxy-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(N(C(=N1)C)C(=O)OCC2=CC=CC=C2)C=C

DOS

IR

Vibrations