Geometry & MOs

Info

ID:	258811
PubChem CID:	103157098
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-120.99
Dipole, Da:	1.49
IP(EA), eV:	-8.08(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations