Geometry & MOs

Info

ID:	421170
PubChem CID:	135115504
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	336.087685
ΔH_f, kcal/mol:	-29.06
Dipole, Da:	7.53
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(6-chloro-4-oxo-1H-quinolin-2-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COCCN1C=NC=C1CN2CCC(CC2)N3C4=CC=CC=C4NC3=O

DOS

IR

Vibrations