Geometry & MOs

Info

ID:	411825
PubChem CID:	135084670
Reduced:	N2O2F3C28H30 (1)
Stoich.:	A2B2C3D28E30 (1)
Weight, g/mol:	968.25199
ΔH_f, kcal/mol:	-147.86
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.286877
Charge, e:	3

Chem-info

IUPAC name:

trilithium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;1-(2-oxonionaphthalen-1-yl)naphthalen-2-olate;yttrium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H](C3CC4CC[N+]3(CC4C=C)CC5=CC=CC=C5C(F)(F)F)O

DOS

IR

Vibrations