Geometry & MOs

Info

ID:	259102
PubChem CID:	103158216
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	271.11392
ΔH_f, kcal/mol:	-175.52
Dipole, Da:	3.19
IP(EA), eV:	-8.64(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NCC(CC(=O)O)OC)C

DOS

IR

Vibrations