Geometry & MOs

Info

ID:

177688

PubChem CID:

76216816

Reduced:

F3N3O3H14C20 (1)

Stoich.:

A3B3C3D14E20 (1)

Weight, g/mol:

615.294451

ΔHf, kcal/mol:

-188.94

Dipole, Da:

4.02

IP(EA), eV:

 -9.82(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-7-[3-(3-piperidin-1-ylpropyl)phenyl]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3C(N(C(=O)NC3=O)C4=CC=CC(=C4)C(F)(F)F)O)C=N2

DOS

IR

Vibrations