Geometry & MOs

Info

ID:	169896
PubChem CID:	75164310
Reduced:	N2O6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	342.057665
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	6.66
IP(EA), eV:	-10.4(-2.05)
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;phosphoric acid

Drug info:

PubChemData

Smile

CCCC=C(C(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations