Geometry & MOs

Info

ID:	294294
PubChem CID:	117451534
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	9.09
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(oxetan-3-ylsulfonyl)phenyl]cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC=C2)OC)S(=O)(=O)C)N

DOS

IR

Vibrations