Geometry & MOs

Info

ID:	263854
PubChem CID:	103401549
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	6.39
IP(EA), eV:	-10.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2-methoxyethoxy)propoxy]-2-propan-2-ylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COCCOCCCOC1=NN=C(C=C1)C(=O)O

DOS

IR

Vibrations