Geometry & MOs

Info

ID:	187780
PubChem CID:	77622444
Reduced:	ON5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	383.085224
ΔH_f, kcal/mol:	7.71
Dipole, Da:	3.41
IP(EA), eV:	-9.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-4aH-1,8-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C3C(CNN3)C(=O)NC2=N1

DOS

IR

Vibrations