Geometry & MOs

Info

ID:	209617
PubChem CID:	80694789
Reduced:	FNO2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	229.147807
ΔH_f, kcal/mol:	-157.72
Dipole, Da:	6.09
IP(EA), eV:	-9.34(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoroethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1(CCN(C1)CCF)C(=O)O

DOS

IR

Vibrations