Geometry & MOs

Info

ID:	423118
PubChem CID:	135118966
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	16.53
Dipole, Da:	0.26
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[3-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations