Geometry & MOs

Info

ID:	247164
PubChem CID:	103068353
Reduced:	NSF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	227.170771
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	3.93
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylsulfanylmethyl)-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CNCC(=C)CSC1=CC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations