Geometry & MOs

Info

ID:	258843
PubChem CID:	103157218
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	8.25
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-fluoroanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)N

DOS

IR

Vibrations