Geometry & MOs

Info

ID:

441616

PubChem CID:

135237486

Reduced:

FO4N6C32H37 (1)

Stoich.:

AB4C6D32E37 (1)

Weight, g/mol:

485.24269

ΔHf, kcal/mol:

-116.48

Dipole, Da:

6.84

IP(EA), eV:

 -8.89(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxypyridin-4-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OCN1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)NC(=O)/C=C/CN(C)C)C4=CC(=NC=C4)F)N

DOS

IR

Vibrations