Geometry & MOs

Info

ID:	392263
PubChem CID:	135013985
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	3.3
IP(EA), eV:	-9.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-9-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-3,5(9)-dien-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC(=O)N[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations