Geometry & MOs

Info

ID:	55608
PubChem CID:	17395654
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	330.137971
ΔH_f, kcal/mol:	30.13
Dipole, Da:	3.17
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations