Geometry & MOs

Info

ID:	247131
PubChem CID:	103068028
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	235.139471
ΔH_f, kcal/mol:	17.35
Dipole, Da:	1.27
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)sulfanylmethyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=C)CNC

DOS

IR

Vibrations