Geometry & MOs

Info

ID:	187010
PubChem CID:	77518004
Reduced:	O7N8C41H44 (1)
Stoich.:	A7B8C41D44 (1)
Weight, g/mol:	164.038591
ΔH_f, kcal/mol:	-201.28
Dipole, Da:	5.68
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-3H-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(CC7=CC=C(C=C7)O)NC(=O)O)NC(=O)OC

DOS

IR

Vibrations