Geometry & MOs

Info

ID:	27261
PubChem CID:	819965
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	301.97899
ΔH_f, kcal/mol:	-123.81
Dipole, Da:	3.32
IP(EA), eV:	-9.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-ethoxy-4-formylphenoxy)acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C=O)Br)OCC(=O)N

DOS

IR

Vibrations