Geometry & MOs

Info

ID:	330013
PubChem CID:	127247000
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	39.02
Dipole, Da:	2.87
IP(EA), eV:	-8.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenoxy)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=CC4=C(N3)C=CC(=C4)OC

DOS

IR

Vibrations