Geometry & MOs

Info

ID:

37589

PubChem CID:

8022510

Reduced:

NO5H8C12 (1)

Stoich.:

AB5C8D12 (1)

Weight, g/mol:

162.079313

ΔHf, kcal/mol:

-109.1

Dipole, Da:

7.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.810398

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-amino-1-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3=CC(=NO3)C(=O)[O-]

DOS

IR

Vibrations