Geometry & MOs

Info

ID:

436317

PubChem CID:

135198874

Reduced:

N3H55C59 (1)

Stoich.:

A3B55C59 (1)

Weight, g/mol:

782.366099

ΔHf, kcal/mol:

240.39

Dipole, Da:

0.66

IP(EA), eV:

 -8.37(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[4-[(1E)-1-[(2Z)-9-cyclohexa-1,3-dien-1-yl-2-(6-ethenylidenecyclohexa-2,4-dien-1-ylidene)-9-phenyl-7,8-dihydrofluoren-3-ylidene]ethyl]phenyl]phenyl]-5,6-dihydro-1,10-phenanthroline

Drug info:

PubChemData

Smile

CCC/C=C\C(=C(\C=C/C(=C)C1=CC=C(C=C1)CNC2=C(C3=CC=CC=C3C4=CC=CC=C42)/C(=C/CC=C)/C=C\C)/C5=NC6=C(C=CC7=C6N=C(C=C7)C8=CCCC=C8)C=C5)\C

DOS

IR

Vibrations