Geometry & MOs

Info

ID:

385687

PubChem CID:

134979734

Reduced:

C10H11 (1)

Stoich.:

A10B11 (1)

Weight, g/mol:

172.088815

ΔHf, kcal/mol:

44.28

Dipole, Da:

0.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.913851

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2Z)-penta-2,4-dienyl]benzaldehyde

Drug info:

PubChemData

Smile

C/C=C(/[CH2])\C1=CC=CC=C1

DOS

IR

Vibrations