Geometry & MOs

Info

ID:	187623
PubChem CID:	77598877
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	469.168081
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	3.85
IP(EA), eV:	-9.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[6-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]piperidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

Drug info:

PubChemData

Smile

CCC1C2=CN=CN2CC(=O)N1CC3=CC=C(C=C3)F

DOS

IR

Vibrations