Geometry & MOs

Info

ID:	333613
PubChem CID:	127252165
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-30.22
Dipole, Da:	2.88
IP(EA), eV:	-9.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NNC(=C2)COC3=CC(=CC=C3)F)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations