Geometry & MOs

Info

ID:	332008
PubChem CID:	127250294
Reduced:	FO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	2.87
IP(EA), eV:	-9.39(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=C(C=C2)F)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations