Geometry & MOs

Info

ID:	293674
PubChem CID:	117396485
Reduced:	NSO4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	5.57
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylsulfonyl-1,3-benzodioxol-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC2=C1OCO2)CCCN

DOS

IR

Vibrations