Geometry & MOs

Info

ID:	293481
PubChem CID:	117391491
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	3.26
IP(EA), eV:	-8.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CNCC(=O)C1=C(C(=CC(=C1)OC)SC)OC

DOS

IR

Vibrations