Geometry & MOs

Info

ID:

448129

PubChem CID:

135288677

Reduced:

OSN9H27C29 (1)

Stoich.:

ABC9D27E29 (1)

Weight, g/mol:

494.265491

ΔHf, kcal/mol:

171.96

Dipole, Da:

13.5

IP(EA), eV:

 -8.43(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-(4-methylpiperazin-1-yl)-2-[5-[5-(pyrrolidin-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=C(S1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)NN4)/N=C32

DOS

IR

Vibrations