Geometry & MOs

Info

ID:	182913
PubChem CID:	76954215
Reduced:	FNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-152.12
Dipole, Da:	5.56
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(4-bromophenyl)prop-2-enoyl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C=CC2=CC=CC=C2F)CC(=O)O

DOS

IR

Vibrations