Geometry & MOs

Info

ID:	332709
PubChem CID:	127250995
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	378.149204
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	4.19
IP(EA), eV:	-8.95(-0.81)
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-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations