Geometry & MOs

Info

ID:	258902
PubChem CID:	103157384
Reduced:	SN3O4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	325.10413
ΔH_f, kcal/mol:	-143.02
Dipole, Da:	11.44
IP(EA), eV:	-9.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromophenyl)ethylamino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CSC(=N1)CN

DOS

IR

Vibrations