Geometry & MOs

Info

ID:

317451

PubChem CID:

126637727

Reduced:

F3O4N5H22C24 (1)

Stoich.:

A3B4C5D22E24 (1)

Weight, g/mol:

356.173607

ΔHf, kcal/mol:

-231.14

Dipole, Da:

3.8

IP(EA), eV:

 -8.75(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-ethyl-7-methyl-7-(oxan-4-yl)-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC4=C(N=CN=C43)N)COC5=CC6=NC=C(C=C6C=C5)C(F)(F)F)C

DOS

IR

Vibrations