Geometry & MOs

Info

ID:

449309

PubChem CID:

135297531

Reduced:

N7H21C24 (1)

Stoich.:

A7B21C24 (1)

Weight, g/mol:

474.202891

ΔHf, kcal/mol:

199.87

Dipole, Da:

6.08

IP(EA), eV:

 -8.53(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CCNCC6)NN4)/N=C23

DOS

IR

Vibrations