Geometry & MOs

Info

ID:	327858
PubChem CID:	126691174
Reduced:	OSN2F3C25H25 (1)
Stoich.:	ABC2D3E25F25 (1)
Weight, g/mol:	296.307916
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	4.47
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-4-[(6R)-6-methyltridecan-6-yl]oxane

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)NSC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations