Geometry & MOs

Info

ID:

449487

PubChem CID:

135299025

Reduced:

FON8H23C28 (1)

Stoich.:

ABC8D23E28 (1)

Weight, g/mol:

540.199777

ΔHf, kcal/mol:

116.57

Dipole, Da:

8.74

IP(EA), eV:

 -8.57(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations