Geometry & MOs

Info

ID:

447841

PubChem CID:

135286250

Reduced:

FON7H24C30 (1)

Stoich.:

ABC7D24E30 (1)

Weight, g/mol:

469.148493

ΔHf, kcal/mol:

108.31

Dipole, Da:

9.58

IP(EA), eV:

 -8.54(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)N=C3

DOS

IR

Vibrations