Geometry & MOs

Info

ID:

187068

PubChem CID:

77527861

Reduced:

N2O8C37H60 (1)

Stoich.:

A2B8C37D60 (1)

Weight, g/mol:

396.159769

ΔHf, kcal/mol:

-409.86

Dipole, Da:

1.93

IP(EA), eV:

 -8.68(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-fluoro-4-(3-morpholin-4-ylpropoxy)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7,9,14,16-heptaen-11-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCC12C(C(C(O1)CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)CC(=O)OC)OC(O2)(C)C

DOS

IR

Vibrations