Geometry & MOs

Info

ID:

448065

PubChem CID:

135288129

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

509.207642

ΔHf, kcal/mol:

181.0

Dipole, Da:

7.53

IP(EA), eV:

 -8.71(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyl-N-[[5-[(3Z)-3-(4-pyridin-4-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=CC=N6

DOS

IR

Vibrations