Geometry & MOs

Info

ID:	320092
PubChem CID:	126658174
Reduced:	ON5C33H57 (1)
Stoich.:	AB5C33D57 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	4.44
IP(EA), eV:	-8.49(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1C2=C(C(N1C(C)(C)C)C(C)(C)CCC(C)(C)C3C4=C(C(N3C(C)(C)C)C(C)(C)C)N=CO4)NC=N2

DOS

IR

Vibrations