Geometry & MOs

Info

ID:	285598
PubChem CID:	104115191
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	1.51
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=CO3)CO

DOS

IR

Vibrations