Geometry & MOs

Info

ID:

180178

PubChem CID:

76590930

Reduced:

O2F3N9C28H28 (1)

Stoich.:

A2B3C9D28E28 (1)

Weight, g/mol:

468.213455

ΔHf, kcal/mol:

-43.97

Dipole, Da:

4.84

IP(EA), eV:

 -8.59(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-cyanopyridin-3-yl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2CC(NN2)NC3=NC(=NN4C3=CC=C4)N5CC(CC5C(=O)NC6=CN=C(C=C6)F)OC7=C(C=C(C=C7)F)F

DOS

IR

Vibrations