Geometry & MOs

Info

ID:	415088
PubChem CID:	135088074
Reduced:	O5N7C31H41 (1)
Stoich.:	A5B7C31D41 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	5.84
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=C4C(=NN(C4=NC(=C3)C)C)C

DOS

IR

Vibrations