Geometry & MOs

Info

ID:	423465
PubChem CID:	135119550
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-171.31
Dipole, Da:	3.36
IP(EA), eV:	-8.85(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-(3-propoxypiperidin-1-yl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@H]1COC[C@@H]1O)OC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations