Geometry & MOs

Info

ID:

59694

PubChem CID:

24893932

Reduced:

O2N5C11H17 (1)

Stoich.:

A2B5C11D17 (1)

Weight, g/mol:

766.318949

ΔHf, kcal/mol:

-29.59

Dipole, Da:

4.33

IP(EA), eV:

 -7.62(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)/[NH+]=C(\N)/[NH+]=C(N)N

DOS

IR

Vibrations