Geometry & MOs

Info

ID:

447984

PubChem CID:

135287328

Reduced:

FON11H30C31 (1)

Stoich.:

ABC11D30E31 (1)

Weight, g/mol:

452.153164

ΔHf, kcal/mol:

169.05

Dipole, Da:

10.68

IP(EA), eV:

 -8.68(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1-[5-[(3Z)-3-(7-thiophen-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C\5/C6=C(C=CC(=N6)C7=CN=CC(=N7)N8CC(C8)N)NN5)/N=C34)F

DOS

IR

Vibrations