Geometry & MOs

Info

ID:	1797
PubChem CID:	5064
Reduced:	N4O5C8H12 (1)
Stoich.:	A4B5C8D12 (1)
Weight, g/mol:	244.08077
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	5.18
IP(EA), eV:	-10.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N

DOS

IR

Vibrations