Geometry & MOs

Info

ID:

193693

PubChem CID:

78425150

Reduced:

N2O2C21H33 (1)

Stoich.:

A2B2C21D33 (1)

Weight, g/mol:

334.91053

ΔHf, kcal/mol:

-84.53

Dipole, Da:

4.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.129504

Charge, e:

 -1

Chem-info

IUPAC name:

2,5-dibromo-5-phenylpentanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C

DOS

IR

Vibrations