Geometry & MOs

Info

ID:	423695
PubChem CID:	135120034
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	5.21
IP(EA), eV:	-9.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(6,7-dimethoxy-4-methylquinolin-2-yl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)C3=NC=NN3)C4=CCOCC4

DOS

IR

Vibrations