Geometry & MOs

Info

ID:	285646
PubChem CID:	104115384
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	3.26
IP(EA), eV:	-8.77(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

CCC(C)N1CCN(CC1)C2=NC(=CO2)CO

DOS

IR

Vibrations