Geometry & MOs

Info

ID:	292575
PubChem CID:	117355878
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	43.98
Dipole, Da:	1.71
IP(EA), eV:	-8.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-(methylsulfonylmethyl)phenyl]propan-2-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC3=C(CCCCC3)C=C2)N

DOS

IR

Vibrations