Geometry & MOs

Info

ID:

444408

PubChem CID:

135262326

Reduced:

OF3N7C22H22 (1)

Stoich.:

AB3C7D22E22 (1)

Weight, g/mol:

541.203779

ΔHf, kcal/mol:

-63.4

Dipole, Da:

7.82

IP(EA), eV:

 -8.75(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[2-[6-(difluoromethyl)pyridin-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridin-3-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CNCC1=C2C(=NC(=NN2C=C1)C3=NC(=CC=C3)C(F)F)NC4=C(C=NC=C4)F)O

DOS

IR

Vibrations