Geometry & MOs

Info

ID:	286669
PubChem CID:	104179662
Reduced:	ClNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	259.139471
ΔH_f, kcal/mol:	55.15
Dipole, Da:	1.38
IP(EA), eV:	-8.97(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-N-(2-prop-2-ynylsulfanylethyl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

C#CCSCCNC1CC(C1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations