Geometry & MOs

Info

ID:	263816
PubChem CID:	103400688
Reduced:	NO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	346.04159
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	2.27
IP(EA), eV:	-10.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid

Drug info:

PubChemData

Smile

COCCOCCCOCC1=NC=C(C=C1)C(=O)OC

DOS

IR

Vibrations