Geometry & MOs

Info

ID:

329312

PubChem CID:

126734481

Reduced:

N7H37C61 (1)

Stoich.:

A7B37C61 (1)

Weight, g/mol:

357.24565

ΔHf, kcal/mol:

381.0

Dipole, Da:

6.63

IP(EA), eV:

 -7.82(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3E)-3-[(2E,3Z)-2-ethylidene-1-[(3E)-penta-1,3-dien-3-yl]-3-prop-2-enylideneinden-1-yl]-N,N-dimethylpenta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=C(C=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC(=NC(=N9)C1=CC=CC=C1C#N)C1=CC=CC=C1C#N)C#N

DOS

IR

Vibrations