Geometry & MOs

Info

ID:

173788

PubChem CID:

75682867

Reduced:

SN2O3C16H21 (1)

Stoich.:

AB2C3D16E21 (1)

Weight, g/mol:

338.046307

ΔHf, kcal/mol:

-80.78

Dipole, Da:

5.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.106848

Charge, e:

 1

Chem-info

IUPAC name:

[1-[(3,4-dichlorophenyl)methyl]-5-nitro-2,3-dihydroindol-3-yl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C1(C(=NC2=C(S1)C=C(C=C2)C)[O-])C(=O)OCC

DOS

IR

Vibrations