Geometry & MOs

Info

ID:	371956
PubChem CID:	131282544
Reduced:	FO3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	4.37
IP(EA), eV:	-9.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxypiperidin-1-yl)-1,3-oxazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)/C=C(/C(=O)O)\O

DOS

IR

Vibrations