Geometry & MOs

Info

ID:	50643
PubChem CID:	12013208
Reduced:	OC14H14 (2)
Stoich.:	AB14C14 (2)
Weight, g/mol:	340.182715
ΔH_f, kcal/mol:	5.89
Dipole, Da:	3.33
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2E,4E)-hexa-2,4-dienoxy]-7-phenylhepta-1,6-diynyl]benzene

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@H]2CO[C@H]3[C@@]24[C@@]1(C(=O)C(=C4CC3(C)C)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations