Geometry & MOs

Info

ID:	404405
PubChem CID:	135066170
Reduced:	PN2O2C5H8 (2)
Stoich.:	AB2C2D5E8 (2)
Weight, g/mol:	320.080329
ΔH_f, kcal/mol:	-185.89
Dipole, Da:	9.99
IP(EA), eV:	-9.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[hydroxy-(3-methyl-1H-imidazol-3-ium-2-yl)phosphoryl]ethyl-(3-methyl-1H-imidazol-3-ium-2-yl)phosphinic acid

Drug info:

PubChemData

Smile

C[N+]1=C(NC=C1)P(=O)(CCP(=O)(C2=[N+](C=CN2)C)[O-])[O-]

DOS

IR

Vibrations