Geometry & MOs

Info

ID:

436426

PubChem CID:

135202593

Reduced:

FON7C26H28 (1)

Stoich.:

ABC7D26E28 (1)

Weight, g/mol:

553.30777

ΔHf, kcal/mol:

57.41

Dipole, Da:

6.68

IP(EA), eV:

 -8.65(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[2-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-1-propan-2-ylazetidin-3-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3F)NC4=NC5=C(CN(CC5)C6COC6)C=C4

DOS

IR

Vibrations