Geometry & MOs

Info

ID:	27326
PubChem CID:	820671
Reduced:	BrN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	286.084124
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	5.52
IP(EA), eV:	-9.57(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-formyl-2-methoxyphenoxy)methyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=O)NN=C1)Br

DOS

IR

Vibrations