Geometry & MOs

Info

ID:	359822
PubChem CID:	127299866
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-90.5
Dipole, Da:	7.61
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[4-(2-oxo-1-phenylpyrrolidin-3-yl)piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

DOS

IR

Vibrations