Geometry & MOs

Info

ID:	312057
PubChem CID:	126602170
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	312.132136
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	3.21
IP(EA), eV:	-9.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridin-3-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H](C1=CC=C(C=C1)Br)OC(=O)N

DOS

IR

Vibrations