Geometry & MOs

Info

ID:	16536
PubChem CID:	472225
Reduced:	PN4O5C9H14 (1)
Stoich.:	AB4C5D9E14 (1)
Weight, g/mol:	289.070182
ΔH_f, kcal/mol:	-223.32
Dipole, Da:	5.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795065
Charge, e:	1

Chem-info

IUPAC name:

2-(6-amino-4-oxo-1,5-dihydroimidazo[4,5-c]pyridin-3-ium-3-yl)ethoxymethylphosphonic acid

Drug info:

PubChemData

Smile

C1=C(NC(=O)C2=C1NC=[N+]2CCOCP(=O)(O)O)N

DOS

IR

Vibrations