Geometry & MOs

Info

ID:	332699
PubChem CID:	127250985
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	4.04
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=CC(=N2)C3CN(CCO3)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations