Geometry & MOs

Info

ID:	332285
PubChem CID:	127250571
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	427.200825
ΔH_f, kcal/mol:	22.83
Dipole, Da:	4.09
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(6-aminopyridin-3-yl)pyridin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC(=N4)C5=CN=C(N=C5)N

DOS

IR

Vibrations