Geometry & MOs

Info

ID:	332750
PubChem CID:	127251060
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	4.37
IP(EA), eV:	-9.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations