Geometry & MOs

Info

ID:

444491

PubChem CID:

135262624

Reduced:

F3O4N7C31H36 (1)

Stoich.:

A3B4C7D31E36 (1)

Weight, g/mol:

517.280138

ΔHf, kcal/mol:

-190.77

Dipole, Da:

6.4

IP(EA), eV:

 -8.85(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2-methyl-6-[5-methyl-6-[1-(oxetan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]-3-oxa-1,8-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CCC7(CCC(=O)N7OC(=O)C(F)(F)F)CC6

DOS

IR

Vibrations