Geometry & MOs

Info

ID:	27858
PubChem CID:	823930
Reduced:	FNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	298.050905
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	4.08
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations