Geometry & MOs

Info

ID:	262094
PubChem CID:	103269737
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	272.097249
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	4.29
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-difluoro-4-nitroanilino)methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

C1CC(CC1CNC2=C(C=C(C=C2)F)C#N)O

DOS

IR

Vibrations