Geometry & MOs

Info

ID:

193485

PubChem CID:

78399659

Reduced:

ClN3O4H9C14 (1)

Stoich.:

AB3C4D9E14 (1)

Weight, g/mol:

307.132077

ΔHf, kcal/mol:

15.94

Dipole, Da:

9.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.191871

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-oxo-1-propan-2-ylindol-3-ylidene)amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)[N+](=O)[O-])[O-]

DOS

IR

Vibrations