Geometry & MOs

Info

ID:	205711
PubChem CID:	80139482
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	2.32
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=N1)SCC2CCCC2)N

DOS

IR

Vibrations