Geometry & MOs

Info

ID:

37592

PubChem CID:

8022522

Reduced:

BrON2C8H8 (1)

Stoich.:

ABC2D8E8 (1)

Weight, g/mol:

190.110613

ΔHf, kcal/mol:

3.9

Dipole, Da:

3.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.002892

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-amino-1-propan-2-yl-3H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)[C@H](C(=O)N2)[NH3+]

DOS

IR

Vibrations