Geometry & MOs

Info

ID:	332684
PubChem CID:	127250970
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	427.141117
ΔH_f, kcal/mol:	5.8
Dipole, Da:	6.34
IP(EA), eV:	-8.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC4=C(C=C5CCCC5=C4)OC

DOS

IR

Vibrations