Geometry & MOs

Info

ID:	204928
PubChem CID:	80033407
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	266.116293
ΔH_f, kcal/mol:	24.56
Dipole, Da:	7.41
IP(EA), eV:	-8.35(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentylmethylsulfanyl)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CCCC(C)N(C)C1=CC(=C(C=C1)C#N)N

DOS

IR

Vibrations