Geometry & MOs

Info

ID:	431460
PubChem CID:	135171541
Reduced:	FSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	208.088815
ΔH_f, kcal/mol:	-20.48
Dipole, Da:	5.62
IP(EA), eV:	-8.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylphenalen-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SN(C)C2=CC3=C(N=C2)OCCN=C3/C=C\N

DOS

IR

Vibrations