Geometry & MOs

Info

ID:

139037

PubChem CID:

52463655

Reduced:

ON2C23H29 (1)

Stoich.:

AB2C23D29 (1)

Weight, g/mol:

456.168522

ΔHf, kcal/mol:

13.14

Dipole, Da:

2.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.136192

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-dioxoisoindol-2-yl)propyl 2-[benzyl(methyl)carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)NC(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations