Geometry & MOs

Info

ID:	258844
PubChem CID:	103157223
Reduced:	ClFNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	321.110726
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	2.67
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)anilino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C=C(C=C2)F)Cl)O

DOS

IR

Vibrations