Geometry & MOs

Info

ID:

173460

PubChem CID:

75640614

Reduced:

O2H13C16 (1)

Stoich.:

A2B13C16 (1)

Weight, g/mol:

367.79556

ΔHf, kcal/mol:

2.19

Dipole, Da:

0.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.126412

Charge, e:

 -1

Chem-info

IUPAC name:

2,2,2-tribromo-1-(ethoxycarbonylamino)ethanolate

Drug info:

PubChemData

Smile

C1C(C1(C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations