Geometry & MOs

Info

ID:	419716
PubChem CID:	135108822
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	26.99
Dipole, Da:	2.88
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(5-chloropyrimidin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)CN3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations