Geometry & MOs

Info

ID:	433456
PubChem CID:	135173593
Reduced:	SN2O5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	324.06986
ΔH_f, kcal/mol:	-94.49
Dipole, Da:	7.99
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylpiperidin-4-yl)oxy-N-iodocyclobutan-1-amine

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)N[C@H]2CC(C=C2)COC3=COC(=CC3=O)CN4CC5=CC=CC=C5C4

DOS

IR

Vibrations