Geometry & MOs

Info

ID:	287837
PubChem CID:	104296273
Reduced:	BrN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	355.04192
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	9.3
IP(EA), eV:	-9.81(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromo-3-methylbenzoyl)piperidin-4-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=N2)C(=O)O)Br

DOS

IR

Vibrations