Geometry & MOs

Info

ID:	320093
PubChem CID:	126658183
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	525.262757
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	4.92
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-[(4-phenoxypiperidin-1-yl)methyl]phenyl]methoxy]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CCCCNCC1=CC=C(C=C1)COC2=CC=CC3=C2CN(C3=O)C4CCC(=O)NC4=O

DOS

IR

Vibrations