Geometry & MOs

Info

ID:	329719
PubChem CID:	127246586
Reduced:	FO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	315.138305
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	3.29
IP(EA), eV:	-9.45(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-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=C3)F

DOS

IR

Vibrations