Geometry & MOs

Info

ID:

430947

PubChem CID:

135171017

Reduced:

O3N6C26H30 (1)

Stoich.:

A3B6C26D30 (1)

Weight, g/mol:

435.299811

ΔHf, kcal/mol:

-28.95

Dipole, Da:

1.51

IP(EA), eV:

 -8.71(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(ethenylamino)-N-ethyl-N-[3-[[(2E,3Z)-2-ethylidene-5-methyliminohepta-3,6-dienyl]amino]cyclohexyl]-5-methylidenepyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)N[C@H]4CCC5=C(C4)C=NC=C5

DOS

IR

Vibrations