Geometry & MOs

Info

ID:	445136
PubChem CID:	135264666
Reduced:	ClFO3N4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	461.231456
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	3.63
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-7-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C=C(C=C3)CNC(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations