Geometry & MOs

Info

ID:	284559
PubChem CID:	104052867
Reduced:	BrNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-2.51
Dipole, Da:	1.7
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxy-2,5-dimethylphenyl)-2-methylsulfanylethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C)C(C2=CC=CC=C2Br)NC

DOS

IR

Vibrations