Geometry & MOs

Info

ID:	418387
PubChem CID:	135104493
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.16
IP(EA), eV:	-8.63(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-[(3-oxopiperazin-1-yl)methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=CC=N2)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations