Geometry & MOs

Info

ID:	287445
PubChem CID:	104242465
Reduced:	ClSN2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	216.164479
ΔH_f, kcal/mol:	18.86
Dipole, Da:	3.01
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-chloro-4-ethylhexyl)cyclopentane

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCC2=CN3C=CSC3=N2)Cl

DOS

IR

Vibrations