Geometry & MOs

Info

ID:	422265
PubChem CID:	135117530
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-155.81
Dipole, Da:	3.55
IP(EA), eV:	-8.71(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC=C(C=C3)OCC(=O)N4CCOCC4)O

DOS

IR

Vibrations