Geometry & MOs

Info

ID:

438896

PubChem CID:

135228656

Reduced:

NC32H39 (1)

Stoich.:

AB32C39 (1)

Weight, g/mol:

515.423949

ΔHf, kcal/mol:

58.63

Dipole, Da:

3.88

IP(EA), eV:

-8.86(-0.27)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(Z,3Z)-2-[2-ethyl-4-[(E,5Z)-5-ethylidene-4,6-dimethylidenenon-2-en-2-yl]-5-(2,3,3-trimethylbutyl)phenyl]-3-[(prop-2-enylamino)methylimino]prop-1-en-1-amine

Drug info:

PubChemData

Smile

C/C=C(\C(=C)/C=C(\C)/C1=C(C=C(C(=C1)C)C2=CC=CC(=C2)C)CC(C)C(C)(C)C)/C(=C)C#N

DOS

IR

Vibrations