Geometry & MOs

Info

ID:

449496

PubChem CID:

135299076

Reduced:

N4H14C15 (2)

Stoich.:

A4B14C15 (2)

Weight, g/mol:

514.259343

ΔHf, kcal/mol:

209.93

Dipole, Da:

4.83

IP(EA), eV:

 -8.54(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3E)-3-[4-(3-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCCC7)NN4)/N=C32

DOS

IR

Vibrations