Geometry & MOs

Info

ID:	51438
PubChem CID:	12014108
Reduced:	SH19C29 (2)
Stoich.:	AB19C29 (2)
Weight, g/mol:	212.08373
ΔH_f, kcal/mol:	260.1
Dipole, Da:	0.42
IP(EA), eV:	-8.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E,5E)-6-(furan-2-yl)hexa-1,3,5-trienyl]furan

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(S5)C6=CC=C(S6)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations