Geometry & MOs

Info

ID:

181773

PubChem CID:

76791143

Reduced:

N5O7C23H33 (1)

Stoich.:

A5B7C23D33 (1)

Weight, g/mol:

391.185569

ΔHf, kcal/mol:

-280.44

Dipole, Da:

4.78

IP(EA), eV:

 -9.1(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]imidazo[4,5-d]pyridazin-4-yl]amino]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC4CCC(C4)OC(=O)C(C)C)O)O

DOS

IR

Vibrations