Geometry & MOs

Info

ID:

445397

PubChem CID:

135266804

Reduced:

NO3C20H23 (1)

Stoich.:

AB3C20D23 (1)

Weight, g/mol:

734.366099

ΔHf, kcal/mol:

-39.98

Dipole, Da:

4.18

IP(EA), eV:

 -8.37(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(7Z)-7-[(Z)-but-2-enylidene]-6-methylidene-5-[(E,1Z)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-8-naphthalen-2-yl-8,8a-dihydronaphthalen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole

Drug info:

PubChemData

Smile

CC1=CCC(C(=C1)OCC2=CC=CC=C2C(C(=O)NC)OC)C#C

DOS

IR

Vibrations