Geometry & MOs

Info

ID:	329744
PubChem CID:	127246611
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	3.89
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenoxy)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations