Geometry & MOs

Info

ID:	23806
PubChem CID:	606126
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	6.42
IP(EA), eV:	-8.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-4-pyrrolidin-1-ylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)C1=CC(=C(C=C1)N2CCCC2)F

DOS

IR

Vibrations