Geometry & MOs

Info

ID:	417449
PubChem CID:	135094480
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	354.119127
ΔH_f, kcal/mol:	9.26
Dipole, Da:	4.2
IP(EA), eV:	-8.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations