Geometry & MOs

Info

ID:	293091
PubChem CID:	117373629
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	248.121258
ΔH_f, kcal/mol:	16.39
Dipole, Da:	3.51
IP(EA), eV:	-8.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclopropyl-3-fluorophenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1)OC)C2=NOC(=N2)CN

DOS

IR

Vibrations