Geometry & MOs

Info

ID:	422923
PubChem CID:	135118621
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	80.09
Dipole, Da:	6.29
IP(EA), eV:	-9.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(2,6-dimethylpyridin-4-yl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NN=CS1)N(C)CC2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations