Geometry & MOs

Info

ID:	344493
PubChem CID:	127268077
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	25.51
Dipole, Da:	4.89
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CC2)C(=O)CN3CCN(CC3)C4=CC=CC=C4C#N

DOS

IR

Vibrations