Geometry & MOs

Info

ID:	329464
PubChem CID:	126737099
Reduced:	FH2C4N4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	340.202502
ΔH_f, kcal/mol:	101.47
Dipole, Da:	6.4
IP(EA), eV:	-9.93(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-4-methyl-1-[4-(2-methyl-1-oxido-2H-quinolin-4-yl)piperazin-1-yl]pent-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C2=NNN=N2)F)F)C3=NNN=N3

DOS

IR

Vibrations