Geometry & MOs

Info

ID:	132774
PubChem CID:	51418654
Reduced:	ClNO4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	232.048407
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753371
Charge, e:	-2

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-6-oxopyrimidine-2,4-diolate

Drug info:

PubChemData

Smile

C1CC(CCC1C2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCOCC4)Cl

DOS

IR

Vibrations