Geometry & MOs

Info

ID:

399936

PubChem CID:

135043968

Reduced:

N3O3C11H16 (1)

Stoich.:

A3B3C11D16 (1)

Weight, g/mol:

332.04119

ΔHf, kcal/mol:

-63.96

Dipole, Da:

5.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775795

Charge, e:

 0

Chem-info

IUPAC name:

1-[(E)-1-bromo-3-methoxy-3-phenylprop-1-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/N1CCC[C@H]1/C(=C/[N+]#N)/O

DOS

IR

Vibrations