Geometry & MOs

Info

ID:	249272
PubChem CID:	103088233
Reduced:	ClNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	1.03
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NCCCCSC

DOS

IR

Vibrations