Geometry & MOs

Info

ID:	292601
PubChem CID:	117355958
Reduced:	NS2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	241.095892
ΔH_f, kcal/mol:	9.47
Dipole, Da:	2.09
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-methyl-2,5-bis(methylsulfanyl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(CCN)C1=CC(=C(C=C1)SC)SC

DOS

IR

Vibrations