Geometry & MOs

Info

ID:

448068

PubChem CID:

135288186

Reduced:

OSN9H21C25 (1)

Stoich.:

ABC9D21E25 (1)

Weight, g/mol:

532.140548

ΔHf, kcal/mol:

194.23

Dipole, Da:

4.41

IP(EA), eV:

 -8.61(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=CS6

DOS

IR

Vibrations