Geometry & MOs

Info

ID:

379607

PubChem CID:

134449737

Reduced:

NO2C20H31 (2)

Stoich.:

AB2C20D31 (2)

Weight, g/mol:

754.334799

ΔHf, kcal/mol:

-187.6

Dipole, Da:

1.32

IP(EA), eV:

 -9.28(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1Z)-buta-1,3-dienyl]-2-[(3E,5E)-6-(9,10-dinaphthalen-1-yl-6,7-dihydroanthracen-2-yl)hexa-1,3,5-trien-3-yl]-1-naphthalen-2-ylimidazole

Drug info:

PubChemData

Smile

CCCCCCC1C=CC(C(C1C/C=C/CCCCC)CC(CCCC)N2C(=O)C=CC2=O)C(CCCC)CN3C(=O)C=CC3=O

DOS

IR

Vibrations