Geometry & MOs

Info

ID:	13833
PubChem CID:	399278
Reduced:	PN2O7C14H17 (1)
Stoich.:	AB2C7D14E17 (1)
Weight, g/mol:	356.077338
ΔH_f, kcal/mol:	-320.45
Dipole, Da:	4.96
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-phenoxyethoxy]methylphosphonic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(OCP(=O)(O)O)OC2=CC=CC=C2

DOS

IR

Vibrations