Geometry & MOs

Info

ID:

412931

PubChem CID:

135085868

Reduced:

BrOC14H17 (1)

Stoich.:

ABC14D17 (1)

Weight, g/mol:

270.02554

ΔHf, kcal/mol:

-25.69

Dipole, Da:

3.6

IP(EA), eV:

-8.71(0.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[(E)-3-bromopent-3-en-2-yl]oxy-4-methoxybenzene

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2CCCC=C2Br

DOS

IR

Vibrations