Geometry & MOs

Info

ID:

385362

PubChem CID:

134978872

Reduced:

BN2C9H18 (1)

Stoich.:

AB2C9D18 (1)

Weight, g/mol:

184.088815

ΔHf, kcal/mol:

-33.06

Dipole, Da:

1.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.892488

Charge, e:

 0

Chem-info

IUPAC name:

[(1E,5Z)-6-methoxyhexa-1,5-dien-3-ynyl]benzene

Drug info:

PubChemData

Smile

B1(N(CCN1C)C)C(=C(C)C)[CH2]

DOS

IR

Vibrations