Geometry & MOs

Info

ID:

186582

PubChem CID:

77447879

Reduced:

ON3C9H11 (3)

Stoich.:

AB3C9D11 (3)

Weight, g/mol:

765.442921

ΔHf, kcal/mol:

5.05

Dipole, Da:

9.44

IP(EA), eV:

 -8.72(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-(6-aminopyridin-3-yl)-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C(C)CCC1=NC2=C(C=NN2C(=C1C(=O)C)N)C3=CN=C(C=C3)C4(CCC4)O)C(=O)C5=NC=NN5

DOS

IR

Vibrations