Geometry & MOs

Info

ID:	369653
PubChem CID:	127334983
Reduced:	SN2O2F3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-130.74
Dipole, Da:	8.46
IP(EA), eV:	-9.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)O

DOS

IR

Vibrations