Geometry & MOs

Info

ID:	329986
PubChem CID:	127246973
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	328.169939
ΔH_f, kcal/mol:	19.97
Dipole, Da:	9.24
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCCN3C=CN=C3

DOS

IR

Vibrations