Geometry & MOs

Info

ID:	332682
PubChem CID:	127250968
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	400.13176
ΔH_f, kcal/mol:	17.42
Dipole, Da:	3.78
IP(EA), eV:	-8.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)CN4C(=CC5=CC=CC=C54)C

DOS

IR

Vibrations