Geometry & MOs

Info

ID:	327871
PubChem CID:	126691188
Reduced:	OSN2F3H23C25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	282.267114
ΔH_f, kcal/mol:	-119.63
Dipole, Da:	4.67
IP(EA), eV:	-8.61(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-tert-butylazepan-4-yl)-2-methylpropan-2-yl]-1,3-oxazolidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2C3=CC=CC=C3C4=CC=CC=C24)NSC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations