Geometry & MOs

Info

ID:	294804
PubChem CID:	117497046
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-76.91
Dipole, Da:	5.62
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-piperidin-1-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=C(C=C(C=C2)CCC(=O)O)Br

DOS

IR

Vibrations