Geometry & MOs

Info

ID:

317453

PubChem CID:

126637743

Reduced:

N2O3C19H22 (1)

Stoich.:

A2B3C19D22 (1)

Weight, g/mol:

462.217952

ΔHf, kcal/mol:

44.4

Dipole, Da:

3.4

IP(EA), eV:

 -8.5(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[(3aS,4R,6S,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]ethyl]-3-fluoroquinolin-2-amine

Drug info:

PubChemData

Smile

CCN1C(=CC2=C1C3=C(C=NC=C3)OC24CCCCC4)C(=O)OC

DOS

IR

Vibrations