Geometry & MOs

Info

ID:	332284
PubChem CID:	127250570
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	20.61
Dipole, Da:	3.9
IP(EA), eV:	-8.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-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=CNN=C5

DOS

IR

Vibrations