Geometry & MOs

Info

ID:	171708
PubChem CID:	75415687
Reduced:	ClO2F3N3H11C18 (1)
Stoich.:	AB2C3D3E11F18 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	5.6
IP(EA), eV:	-8.96(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(N2)C(=O)C(C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations