Geometry & MOs

Info

ID:

449304

PubChem CID:

135297501

Reduced:

N7H19C25 (1)

Stoich.:

A7B19C25 (1)

Weight, g/mol:

460.212393

ΔHf, kcal/mol:

218.05

Dipole, Da:

7.91

IP(EA), eV:

 -8.53(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[7-(3-methylphenyl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations