Geometry & MOs

Info

ID:	329996
PubChem CID:	127246983
Reduced:	O2N6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	2.49
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations