Geometry & MOs

Info

ID:	332025
PubChem CID:	127250311
Reduced:	O3N6H22C24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	15.8
Dipole, Da:	1.55
IP(EA), eV:	-9.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C3=CC=CC=C3N=N2)C4=NC=C(C=C4)C5=CC(=CC=C5)C(=O)N

DOS

IR

Vibrations