Geometry & MOs

Info

ID:	362040
PubChem CID:	127305577
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	331.169605
ΔH_f, kcal/mol:	0.58
Dipole, Da:	4.55
IP(EA), eV:	-9.08(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)CCN3C=NC=N3

DOS

IR

Vibrations