Geometry & MOs

Info

ID:	372315
PubChem CID:	131296132
Reduced:	ClN3O3C7H8 (1)
Stoich.:	AB3C3D7E8 (1)
Weight, g/mol:	200.054555
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	2.73
IP(EA), eV:	-9.49(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(methylamino)-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)N=C1C=CC(=NN1O)Cl

DOS

IR

Vibrations