Geometry & MOs

Info

ID:	59155
PubChem CID:	24771308
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	259.993333
ΔH_f, kcal/mol:	34.64
Dipole, Da:	4.86
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-carboxyoxy-3-phosphonooxypropan-2-yl) hydrogen carbonate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CN=C(C=C2)OC3=CC=CC(=C3)C#N)C4CC4

DOS

IR

Vibrations