Geometry & MOs

Info

ID:	247055
PubChem CID:	103067045
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	7.28
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylsulfonylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)COC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations