Geometry & MOs

Info

ID:

448052

PubChem CID:

135288019

Reduced:

FSN8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

499.159058

ΔHf, kcal/mol:

172.78

Dipole, Da:

11.01

IP(EA), eV:

 -8.61(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3E)-3-[4-(5-fluorothiophen-2-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C=CN=C(C6=N5)C7=CC=C(S7)F

DOS

IR

Vibrations