Geometry & MOs

Info

ID:	396141
PubChem CID:	135027532
Reduced:	ON3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	336.076199
ΔH_f, kcal/mol:	61.2
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.832553
Charge, e:	0

Chem-info

IUPAC name:

6,7,8-trifluoro-1-naphthalen-1-ylnaphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3CC4CCN3CC4C=C)[NH]

DOS

IR

Vibrations