Geometry & MOs

Info

ID:	293805
PubChem CID:	117402703
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	259.070071
ΔH_f, kcal/mol:	70.97
Dipole, Da:	2.89
IP(EA), eV:	-8.36(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylsulfanyl-3-methylsulfonylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CC=C2SC3CCC3)N

DOS

IR

Vibrations