Geometry & MOs

Info

ID:	308482
PubChem CID:	125333207
Reduced:	OF2N2H6C11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	3.8
IP(EA), eV:	-10.32(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-N-[(1R,9aR)-6-fluoro-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-3,5-dimethyl-2,5-dihydro-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)C2=C(C=CC(=C2)C#N)N=C1C(F)F

DOS

IR

Vibrations