Geometry & MOs

Info

ID:

443892

PubChem CID:

135260309

Reduced:

N4C15H17 (2)

Stoich.:

A4B15C17 (2)

Weight, g/mol:

493.16848

ΔHf, kcal/mol:

167.62

Dipole, Da:

4.89

IP(EA), eV:

 -8.2(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethyl-N-[5-[(3E)-3-(4-thiophen-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7CCCC7)NN4)/C=C32

DOS

IR

Vibrations