Geometry & MOs

Info

ID:	224570
PubChem CID:	85344952
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	3.21
IP(EA), eV:	-9.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-2-(3-oxo-1,2-dihydroisoindol-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C(=O)C2=CC=CC=N2)C(C)C

DOS

IR

Vibrations