Geometry & MOs

Info

ID:	154387
PubChem CID:	56313810
Reduced:	ON2H22C24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	45.63
Dipole, Da:	1.39
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(3-phenylbutyl)pentanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N)C3=CC=CC=C3

DOS

IR

Vibrations