Geometry & MOs

Info

ID:	423918
PubChem CID:	135120753
Reduced:	FON2C10H14 (2)
Stoich.:	ABC2D10E14 (2)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-175.13
Dipole, Da:	5.09
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CN2CC3(CCN(CC3)C4=NC=CN=C4)OCCC2=O)(F)F

DOS

IR

Vibrations