Geometry & MOs

Info

ID:

444174

PubChem CID:

135261576

Reduced:

FO2N7C35H36 (1)

Stoich.:

AB2C7D35E36 (1)

Weight, g/mol:

468.153244

ΔHf, kcal/mol:

38.29

Dipole, Da:

5.53

IP(EA), eV:

 -8.48(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)OCCN(C)C)N=C2

DOS

IR

Vibrations