Geometry & MOs

Info

ID:

449732

PubChem CID:

135301014

Reduced:

FOCl2N5C31H32 (1)

Stoich.:

ABC2D5E31F32 (1)

Weight, g/mol:

688.331082

ΔHf, kcal/mol:

143.31

Dipole, Da:

2.12

IP(EA), eV:

 -8.44(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[3-[(E)-2-[5-[(3,5-dichloropyridin-4-yl)methoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]phenyl]methyl]cyclotridecan-1-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3/C(=C/C4=CN=C(C=C4)CC5(CCCCC6CC6C5)N)/F

DOS

IR

Vibrations