Geometry & MOs

Info

ID:	369704
PubChem CID:	127335075
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	44.04
Dipole, Da:	3.37
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations