Geometry & MOs

Info

ID:

447946

PubChem CID:

135287061

Reduced:

FSN7H20C25 (1)

Stoich.:

ABC7D20E25 (1)

Weight, g/mol:

519.18413

ΔHf, kcal/mol:

167.39

Dipole, Da:

2.87

IP(EA), eV:

 -8.84(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-thiophen-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations