Geometry & MOs

Info

ID:

412563

PubChem CID:

135085460

Reduced:

N2O2F6C30H31 (1)

Stoich.:

A2B2C6D30E31 (1)

Weight, g/mol:

1018.25251

ΔHf, kcal/mol:

-306.71

Dipole, Da:

3.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.297984

Charge, e:

 3

Chem-info

IUPAC name:

trilithium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate;lanthanum;[1-(2-oxonionaphthalen-1-yl)naphthalen-2-yl]oxidanium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CC[N+]3(CC4C=C)CC5=C(C=CC(=C5)C(F)(F)F)C(F)(F)F)OC

DOS

IR

Vibrations