Geometry & MOs

Info

ID:	263300
PubChem CID:	103354056
Reduced:	SN3O4C12H17 (1)
Stoich.:	AB3C4D12E17 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	7.27
IP(EA), eV:	-9.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-aminocyclobutyl)methyl]-4-propylsulfonylaniline

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)NCC2(CCC2)N)[N+](=O)[O-]

DOS

IR

Vibrations