Geometry & MOs

Info

ID:

40806

PubChem CID:

8144730

Reduced:

N4O4C14H19 (1)

Stoich.:

A4B4C14D19 (1)

Weight, g/mol:

352.158706

ΔHf, kcal/mol:

-98.35

Dipole, Da:

5.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762732

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4-benzylpiperidin-1-yl)methyl]-5-fluoroindole-2,3-dione

Drug info:

PubChemData

Smile

CNC(=O)C[NH2+]CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

DOS

IR

Vibrations