Geometry & MOs

Info

ID:

311152

PubChem CID:

126589646

Reduced:

N2O4C23H24 (1)

Stoich.:

A2B4C23D24 (1)

Weight, g/mol:

440.222369

ΔHf, kcal/mol:

-96.03

Dipole, Da:

8.21

IP(EA), eV:

 -9.08(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-(6-fluoro-7,8-didehydro-6H-cyclohepta[d][1,2]oxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-4,9-diol

Drug info:

PubChemData

Smile

C/C/1=C/C=NC2[C@@H](CN3C2=CC4=C(C3=O)COC(=O)[C@H]4O)C5=C/C(=C1/C)/CCC5

DOS

IR

Vibrations