Geometry & MOs

Info

ID:	3287
PubChem CID:	9444
Reduced:	N4O5C8H12 (1)
Stoich.:	A4B5C8D12 (1)
Weight, g/mol:	244.08077
ΔH_f, kcal/mol:	-182.59
Dipole, Da:	3.79
IP(EA), eV:	-10.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N

DOS

IR

Vibrations