Geometry & MOs

Info

ID:	397667
PubChem CID:	135030545
Reduced:	F2N3O3C27H27 (1)
Stoich.:	A2B3C3D27E27 (1)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	4.66
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-methoxy-4-phenylbutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CCN1C(=O)OCC2=CC=CC=C2)(C(=O)NC3=CC(=CC=C3)F)NC4=CC(=CC=C4)F

DOS

IR

Vibrations