Geometry & MOs

Info

ID:	262096
PubChem CID:	103269897
Reduced:	ON6C11H18 (1)
Stoich.:	AB6C11D18 (1)
Weight, g/mol:	283.16444
ΔH_f, kcal/mol:	65.84
Dipole, Da:	9.44
IP(EA), eV:	-9.51(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-ethoxy-3-methylbutan-2-yl)-6-N-methyl-5-nitropyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC(C(C)C)NC1=NN2C(=NN=N2)C=C1

DOS

IR

Vibrations