Geometry & MOs

Info

ID:	231477
PubChem CID:	87573836
Reduced:	ClN2Br4O9H21C33 (1)
Stoich.:	AB2C4D9E21F33 (1)
Weight, g/mol:	220.111087
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	12.85
IP(EA), eV:	-9.28(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-fluoroethoxy)ethoxy]-2-methylpent-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=C(C=C2Br)[N+](=O)[O-])Br.COC1=C(C=C(C=C1)OC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations