Geometry & MOs

Info

ID:	418151
PubChem CID:	135103715
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-26.55
Dipole, Da:	6.08
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(4,7,8-trimethylquinolin-2-yl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)NCC2=NC(=NN2)N

DOS

IR

Vibrations