Geometry & MOs

Info

ID:	332014
PubChem CID:	127250300
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	6.64
IP(EA), eV:	-8.45(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CNC3=CC=CC=C32)C4=NC=C(C=C4)C5=CC(=CC=C5)C(=O)N

DOS

IR

Vibrations