Geometry & MOs

Info

ID:

182079

PubChem CID:

76839100

Reduced:

O4N6F9C30H31 (1)

Stoich.:

A4B6C9D30E31 (1)

Weight, g/mol:

638.196109

ΔHf, kcal/mol:

-543.53

Dipole, Da:

7.98

IP(EA), eV:

 -9.07(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-methyl-2-[(4-methylphenyl)methylideneamino]-6-[6-[3-[[4-(trifluoromethyl)phenyl]methylidene]-1,2,3-benzodioxazol-3-ium-7-yl]hexyl]phenol;vanadium

Drug info:

PubChemData

Smile

CCC1CC(C2=C(N1C(=O)CCCCC(=O)OC)C=CC(=C2)OC(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C

DOS

IR

Vibrations