Geometry & MOs

Info

ID:	329717
PubChem CID:	127246584
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	315.138305
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	6.17
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCC3=C(ON=C3C)C

DOS

IR

Vibrations