Geometry & MOs

Info

ID:	210912
PubChem CID:	80870628
Reduced:	ON3C6H11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	1.82
IP(EA), eV:	-8.9(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)CCCOC1=NC(=NC(=N1)N2CCOCC2)N

DOS

IR

Vibrations