Geometry & MOs

Info

ID:

405776

PubChem CID:

135075435

Reduced:

BSN2C11H14 (1)

Stoich.:

ABC2D11E14 (1)

Weight, g/mol:

259.96036

ΔHf, kcal/mol:

46.25

Dipole, Da:

2.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.796648

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-3-bromo-2-chloroprop-2-enoxy]methylbenzene

Drug info:

PubChemData

Smile

[BH-](C1=[N+](C=CN1C)C)SC2=CC=CC=C2

DOS

IR

Vibrations