Geometry & MOs

Info

ID:	393579
PubChem CID:	135021089
Reduced:	ON2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	66.22
Dipole, Da:	2.19
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-6-one

Drug info:

PubChemData

Smile

C1CCN(C1)[C@@H]2[C@H](C(=NO2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations