Geometry & MOs

Info

ID:	332669
PubChem CID:	127250955
Reduced:	ON2C7H10 (3)
Stoich.:	AB2C7D10 (3)
Weight, g/mol:	412.165917
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	7.17
IP(EA), eV:	-8.72(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC(=O)N(C)C4CCCCC4

DOS

IR

Vibrations