Geometry & MOs

Info

ID:	64730
PubChem CID:	29203919
Reduced:	FON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	401.130633
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	5.53
IP(EA), eV:	-8.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations