Geometry & MOs

Info

ID:	332719
PubChem CID:	127251029
Reduced:	FN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	393.160103
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	6.22
IP(EA), eV:	-9.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-[2-(methylamino)pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations