Geometry & MOs

Info

ID:	359828
PubChem CID:	127299872
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	45.99
Dipole, Da:	3.31
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C3=CC=CC=C3C#N)C4=CC=CC=C4

DOS

IR

Vibrations