Geometry & MOs

Info

ID:

445382

PubChem CID:

135266669

Reduced:

O3N5C25H29 (1)

Stoich.:

A3B5C25D29 (1)

Weight, g/mol:

544.338897

ΔHf, kcal/mol:

-48.76

Dipole, Da:

6.98

IP(EA), eV:

 -9.4(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(methylideneamino)-3-[methyl-[(Z,7Z)-2-methyl-2-(3-prop-1-en-2-yloxypropyl)-7-[(1,1,1-trifluoropropan-2-ylideneamino)methylidene]undec-8-enyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)OC)N(CC2CCCC(C2)(C)CN3C=NC4=C3C=C(C=C4)C#N)C(=O)O

DOS

IR

Vibrations