Geometry & MOs

Info

ID:	1453
PubChem CID:	4484
Reduced:	NPO9C11H14 (1)
Stoich.:	ABC9D11E14 (1)
Weight, g/mol:	335.040618
ΔH_f, kcal/mol:	-397.31
Dipole, Da:	11.76
IP(EA), eV:	-10.34(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)O

DOS

IR

Vibrations