Geometry & MOs

Info

ID:	126023
PubChem CID:	50948858
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	3.19
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N2C=C(C=CC2=N1)Cl)CN3CCC4(CC3)CC(=O)NC4

DOS

IR

Vibrations