Geometry & MOs

Info

ID:	418899
PubChem CID:	135107092
Reduced:	FN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	324.168522
ΔH_f, kcal/mol:	-189.9
Dipole, Da:	5.41
IP(EA), eV:	-9.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=CC(=CC(=C3)C#N)F)OC[C@@H]1O)O

DOS

IR

Vibrations