Geometry & MOs

Info

ID:	342351
PubChem CID:	127265174
Reduced:	FNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	3.56
IP(EA), eV:	-9.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-1-(3-pyridin-4-ylprop-2-enoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)N2CCCC(C2)C(=O)O

DOS

IR

Vibrations