Geometry & MOs

Info

ID:	257036
PubChem CID:	103143183
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	235.124215
ΔH_f, kcal/mol:	-163.42
Dipole, Da:	3.29
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(5-methyloxolan-2-yl)methylsulfonyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)C2=C(C=CC(=C2)OC)N

DOS

IR

Vibrations