Geometry & MOs

Info

ID:	262510
PubChem CID:	103297519
Reduced:	FN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	282.101585
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	6.55
IP(EA), eV:	-9.56(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-3-hydroxyazetidin-1-yl)-(2-fluoro-3-methyl-5-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)NN2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations