Geometry & MOs

Info

ID:

378758

PubChem CID:

134224855

Reduced:

BrH29C38 (1)

Stoich.:

AB29C38 (1)

Weight, g/mol:

497.221092

ΔHf, kcal/mol:

135.88

Dipole, Da:

1.78

IP(EA), eV:

 -9.04(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4-ethylthiophen-2-yl]-3,4-bis(ethenyl)-5-[3-ethenyl-4-ethyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]-1-methylpyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations