Geometry & MOs

Info

ID:	199197
PubChem CID:	79213419
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	319.116149
ΔH_f, kcal/mol:	-14.08
Dipole, Da:	2.18
IP(EA), eV:	-8.29(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2CC3=CC=CC=C3S2)C)N

DOS

IR

Vibrations