Geometry & MOs

Info

ID:	16649
PubChem CID:	474355
Reduced:	O4N5C11H13 (1)
Stoich.:	A4B5C11D13 (1)
Weight, g/mol:	279.096754
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	3.46
IP(EA), eV:	-10.22(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N3C=NC=N3)CO)O

DOS

IR

Vibrations