Geometry & MOs

Info

ID:	221455
PubChem CID:	85273721
Reduced:	Cl2N4O5C8H8 (1)
Stoich.:	A2B4C5D8E8 (1)
Weight, g/mol:	309.112484
ΔH_f, kcal/mol:	-218.61
Dipole, Da:	3.68
IP(EA), eV:	-10.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1C2(C(NC(=O)NC2=O)O)Cl)Cl

DOS

IR

Vibrations