Geometry & MOs

Info

ID:

449495

PubChem CID:

135299075

Reduced:

N8H24C27 (1)

Stoich.:

A8B24C27 (1)

Weight, g/mol:

500.243693

ΔHf, kcal/mol:

221.31

Dipole, Da:

5.83

IP(EA), eV:

 -8.6(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-4-(3-methylphenyl)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations