Geometry & MOs

Info

ID:

447829

PubChem CID:

135286073

Reduced:

FO2N7H26C30 (1)

Stoich.:

AB2C7D26E30 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

75.41

Dipole, Da:

4.6

IP(EA), eV:

 -8.71(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-5-(4-methylpyridin-3-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=C(NN5)N=CC(=C6)C7=CC(=CN=C7)O)/C=C43)F

DOS

IR

Vibrations