Geometry & MOs

Info

ID:	184008
PubChem CID:	77101548
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-107.46
Dipole, Da:	2.86
IP(EA), eV:	-9.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylpiperidin-1-yl)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(CC)C1=CC=CC=C1F)C(=O)OC

DOS

IR

Vibrations