Geometry & MOs

Info

ID:

448190

PubChem CID:

135289129

Reduced:

FO2N6H27C31 (1)

Stoich.:

AB2C6D27E31 (1)

Weight, g/mol:

631.307102

ΔHf, kcal/mol:

32.35

Dipole, Da:

6.17

IP(EA), eV:

 -8.41(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations