Geometry & MOs

Info

ID:	329979
PubChem CID:	127246966
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	330.149204
ΔH_f, kcal/mol:	67.51
Dipole, Da:	5.01
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=NOC(=C3)C4=CN(N=C4)C

DOS

IR

Vibrations