Geometry & MOs

Info

ID:	293696
PubChem CID:	117396947
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	2.05
Dipole, Da:	5.25
IP(EA), eV:	-8.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCCC2=C1)C3=CC(=NN3)N

DOS

IR

Vibrations