Geometry & MOs

Info

ID:	150001
PubChem CID:	53789684
Reduced:	N3O4C8H15 (1)
Stoich.:	A3B4C8D15 (1)
Weight, g/mol:	231.085521
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	0.55
IP(EA), eV:	-10.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-2-(hydroxymethyl)-5-(2H-1,3,5-triazin-1-yloxy)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCNC(=O)C(C=CC(C)[N+](=O)[O-])NO

DOS

IR

Vibrations