Geometry & MOs

Info

ID:	449171
PubChem CID:	135296530
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	534.207862
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	2.8
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[5-[2-(2,4-difluorophenyl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperazin-1-yl]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=C)N(C3=O)C4=CN=C(C=C4)OC

DOS

IR

Vibrations