Geometry & MOs

Info

ID:

432916

PubChem CID:

135173053

Reduced:

ClNOH18C24 (1)

Stoich.:

ABCD18E24 (1)

Weight, g/mol:

619.318335

ΔHf, kcal/mol:

56.67

Dipole, Da:

3.31

IP(EA), eV:

 -9.47(-0.29)

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-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]ethenamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)(C3=CC=CC=C3C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations