Geometry & MOs

Info

ID:

432920

PubChem CID:

135173057

Reduced:

ClNH16C24 (1)

Stoich.:

ABC16D24 (1)

Weight, g/mol:

536.244836

ΔHf, kcal/mol:

105.9

Dipole, Da:

2.28

IP(EA), eV:

 -9.08(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-methylidenepyrazol-4-yl]-N-methyl-1-pyridin-4-ylethenamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)Cl)C5=CC=NC=C5

DOS

IR

Vibrations