Geometry & MOs

Info

ID:	420673
PubChem CID:	135114647
Reduced:	F3N3O3C18H20 (1)
Stoich.:	A3B3C3D18E20 (1)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	3.4
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CCC(CC2)(F)F)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations