Geometry & MOs

Info

ID:	285599
PubChem CID:	104115193
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	3.89
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C3=NC(=CO3)CO

DOS

IR

Vibrations