Geometry & MOs

Info

ID:	292944
PubChem CID:	117365817
Reduced:	NOSC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	245.054421
ΔH_f, kcal/mol:	-6.84
Dipole, Da:	2.75
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanyl-3-methylsulfonylphenyl)ethanamine

Drug info:

PubChemData

Smile

CC1CC2=C(C=CC=C2S1)C3(CCC3)N=C=O

DOS

IR

Vibrations