Geometry & MOs

Info

ID:	332671
PubChem CID:	127250957
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	17.56
Dipole, Da:	4.74
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations