Geometry & MOs

Info

ID:	258791
PubChem CID:	103157029
Reduced:	NOCl3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	3.0
IP(EA), eV:	-8.73(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-methylsulfanylanilino)propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC(=C(C=C2Cl)Cl)Cl)O

DOS

IR

Vibrations