Geometry & MOs

Info

ID:	418507
PubChem CID:	135105375
Reduced:	O2N7C18H21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	54.2
Dipole, Da:	7.18
IP(EA), eV:	-8.39(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(2-methylpyridin-4-yl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)CN(C)CCC3=NC4=C(N3)C=C(C=C4)OC

DOS

IR

Vibrations