Geometry & MOs

Info

ID:	262399
PubChem CID:	103291010
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	243.084848
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	3.43
IP(EA), eV:	-8.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylsulfanyl]-N-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(O1)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations