Geometry & MOs

Info

ID:

432866

PubChem CID:

135173003

Reduced:

FON9C25H26 (1)

Stoich.:

ABC9D25E26 (1)

Weight, g/mol:

455.152829

ΔHf, kcal/mol:

92.19

Dipole, Da:

7.97

IP(EA), eV:

 -7.97(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-(5-methoxypyridin-3-yl)-N-methyl-2-[3-methylidene-5-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazol-4-yl]ethenamine

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)N6CCCCC6)/NN3)O

DOS

IR

Vibrations