Geometry & MOs

Info

ID:

448605

PubChem CID:

135292184

Reduced:

ON6C26H32 (1)

Stoich.:

AB6C26D32 (1)

Weight, g/mol:

483.263425

ΔHf, kcal/mol:

108.57

Dipole, Da:

4.05

IP(EA), eV:

 -8.26(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopropyl-5-[(Z,4E)-4-(6-ethenyl-3-methylidenepyridin-2-ylidene)but-2-enyl]-2-[4-(3-hydroxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=C/C(=C/N)/C=C(/C1=C(N=C(C(=C1)C#N)N2CCN(C(C2)C3CC3)C(=O)C4CC4)C5CC5)\N

DOS

IR

Vibrations