Geometry & MOs

Info

ID:	419057
PubChem CID:	135107406
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-85.89
Dipole, Da:	6.64
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-4-hydroxy-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=CC(=C2)CN3CCC(C3)C(=O)O

DOS

IR

Vibrations