Geometry & MOs

Info

ID:	306424
PubChem CID:	125011658
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	348.159769
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	2.41
IP(EA), eV:	-9.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(5-fluoropyridin-2-yl)-3-hydroxypiperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)[C@@H]2CN(CCO2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations