Geometry & MOs

Info

ID:	331623
PubChem CID:	127249706
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	6.0
IP(EA), eV:	-8.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-[(5-fluoropyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)CC(=O)N4CCCCC4

DOS

IR

Vibrations