Geometry & MOs

Info

ID:	359829
PubChem CID:	127299873
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	6.36
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

DOS

IR

Vibrations