Geometry & MOs

Info

ID:

432882

PubChem CID:

135173019

Reduced:

OSF2N8H20C25 (1)

Stoich.:

ABC2D8E20F25 (1)

Weight, g/mol:

515.218206

ΔHf, kcal/mol:

79.39

Dipole, Da:

5.86

IP(EA), eV:

 -8.83(-2.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-amine

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC=C(S6)F)/NN3)O

DOS

IR

Vibrations