Geometry & MOs

Info

ID:	332961
PubChem CID:	127251385
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	5.95
IP(EA), eV:	-9.1(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-aminopyridin-3-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)COC3=CC=C(C=C3)F)C4=CN(N=C4)C

DOS

IR

Vibrations