Geometry & MOs

Info

ID:	169898
PubChem CID:	75164546
Reduced:	N4O9C12H18 (1)
Stoich.:	A4B9C12D18 (1)
Weight, g/mol:	291.081498
ΔH_f, kcal/mol:	-371.14
Dipole, Da:	6.09
IP(EA), eV:	-10.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;nitrous acid

Drug info:

PubChemData

Smile

C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations