Geometry & MOs

Info

ID:	359821
PubChem CID:	127299865
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	6.39
IP(EA), eV:	-8.7(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations