Geometry & MOs

Info

ID:

448045

PubChem CID:

135287930

Reduced:

SF2N4O4C26H26 (1)

Stoich.:

AB2C4D4E26F26 (1)

Weight, g/mol:

447.191992

ΔHf, kcal/mol:

-125.06

Dipole, Da:

4.66

IP(EA), eV:

 -9.93(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1-[5-[(3Z)-3-(4-pyridin-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

CC1([C@H]2CC[C@]1(C3=NN=C(C=C23)C4=C(C=CC=C4F)F)C5=NC(=CC=C5)S(=O)(=O)NCC6(COC6)O)C

DOS

IR

Vibrations