Geometry & MOs

Info

ID:	343046
PubChem CID:	127266219
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	41.94
Dipole, Da:	4.41
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(6-methoxypyridin-2-yl)ethylamino]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N2CCOCC2CC3=CC=CC=C3)C#N

DOS

IR

Vibrations