Geometry & MOs

Info

ID:	327223
PubChem CID:	126689261
Reduced:	F3N3O5H22C23 (1)
Stoich.:	A3B3C5D22E23 (1)
Weight, g/mol:	234.04407
ΔH_f, kcal/mol:	-294.08
Dipole, Da:	7.5
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-3-nitrophenyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(=O)OCCCN1C2=C(C=C(C=C2)C3(COC3)O)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations