Geometry & MOs

Info

ID:	329718
PubChem CID:	127246585
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	315.138305
ΔH_f, kcal/mol:	-70.47
Dipole, Da:	3.86
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)COC3=CC=CC=C3F

DOS

IR

Vibrations