Geometry & MOs

Info

ID:	445277
PubChem CID:	135265768
Reduced:	F3N5C13H16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	416.222369
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	6.77
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-[5-(2-fluorobut-3-en-2-yl)-1H-imidazol-2-yl]pyridin-2-yl]piperidin-4-yl]oxy-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CCN)C1=NC=C(C=C1)C2=NC=C(N2)C(F)(F)F

DOS

IR

Vibrations