Geometry & MOs

Info

ID:

218405

PubChem CID:

85089395

Reduced:

F3O4N5C20H32 (1)

Stoich.:

A3B4C5D20E32 (1)

Weight, g/mol:

463.210721

ΔHf, kcal/mol:

-310.77

Dipole, Da:

7.08

IP(EA), eV:

 -9.61(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(dimethylamino)methyl]-4-(1,3-dioxan-2-yl)-6-phenylmethoxy-11-oxa-1,13-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2(7),3,5,8-tetraen-12-one

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C1CC2CC(CCC2CN1)CCC3=NNN=N3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations