Geometry & MOs

Info

ID:

309676

PubChem CID:

126554189

Reduced:

ON8H22C28 (1)

Stoich.:

AB8C22D28 (1)

Weight, g/mol:

494.265491

ΔHf, kcal/mol:

267.38

Dipole, Da:

4.48

IP(EA), eV:

 -8.64(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[C-ethenyl-N-[(Z)-1-[(3E)-3-[4-methyl-5-[(1E)-1-(4-methylimidazol-1-yl)buta-1,3-dienyl]imidazol-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]prop-1-enyl]carbonimidoyl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=C=CC=C(C5=N4)C6=CC=NC=C6

DOS

IR

Vibrations