Geometry & MOs

Info

ID:	333718
PubChem CID:	127252270
Reduced:	O2F3N3H20C23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	1.17
IP(EA), eV:	-9.43(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-yl-[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NC=C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations