Geometry & MOs

Info

ID:	332694
PubChem CID:	127250980
Reduced:	FON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	1.12
Dipole, Da:	2.49
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1COC(CN1CCC2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations