Geometry & MOs

Info

ID:	392699
PubChem CID:	135017698
Reduced:	ClFNH17C19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	3.41
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-2-nitrocyclopentyl]acetate

Drug info:

PubChemData

Smile

CCCCC1=CC(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations