Geometry & MOs

Info

ID:

449376

PubChem CID:

135298112

Reduced:

ClFO2N5C30H33 (1)

Stoich.:

ABC2D5E30F33 (1)

Weight, g/mol:

521.199381

ΔHf, kcal/mol:

-21.36

Dipole, Da:

1.77

IP(EA), eV:

 -8.52(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1R)-1-(3-chloro-5-methylpyridin-4-yl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3-methoxypyrrolidin-1-yl)methyl]pyridin-3-yl]ethenyl]-2H-indazole

Drug info:

PubChemData

Smile

CCN(CC1=NC=C(C=C1)/C(=C/C2=C3C=C(C=CC3=NN2)O[C@H](C)C4=C(C=NC=C4C)Cl)/F)C5CCOCC5

DOS

IR

Vibrations