Geometry & MOs

Info

ID:	332010
PubChem CID:	127250296
Reduced:	ClON4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	52.45
Dipole, Da:	1.14
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(4-pyrimidin-2-ylmorpholin-2-yl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CC=N2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations