Geometry & MOs

Info

ID:	418287
PubChem CID:	135104073
Reduced:	NF2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-178.54
Dipole, Da:	4.0
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations