Geometry & MOs

Info

ID:	217494
PubChem CID:	85087901
Reduced:	SeO3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	6.57
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[5-(3-methylphenyl)-3-pyrazin-2-yl-1,2,4-triazol-1-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCC(C[Se]C1=CC=CC=C1)OC=CC(=O)OC

DOS

IR

Vibrations