Geometry & MOs

Info

ID:	210929
PubChem CID:	80871876
Reduced:	ClON6H11C13 (1)
Stoich.:	ABC6D11E13 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	84.21
Dipole, Da:	3.96
IP(EA), eV:	-9.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)COC2=NC(=NC(=N2)N3C=CC=N3)N

DOS

IR

Vibrations