Geometry & MOs

Info

ID:	258980
PubChem CID:	103157720
Reduced:	NOF3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	4.23
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-fluoro-3-methylanilino)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations