Geometry & MOs

Info

ID:	202250
PubChem CID:	79646306
Reduced:	OS2N4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	299.111063
ΔH_f, kcal/mol:	-14.29
Dipole, Da:	4.68
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)SC2=NN=C(S2)N(C)C)CO

DOS

IR

Vibrations