Geometry & MOs

Info

ID:	438450
PubChem CID:	135228191
Reduced:	NPO4C6H9 (2)
Stoich.:	ABC4D6E9 (2)
Weight, g/mol:	394.06949
ΔH_f, kcal/mol:	-411.99
Dipole, Da:	3.86
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-butoxybenzimidazol-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)N(C=N2)CC(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations