Geometry & MOs

Info

ID:	392967
PubChem CID:	135018724
Reduced:	O7C20H24 (1)
Stoich.:	A7B20C24 (1)
Weight, g/mol:	259.91428
ΔH_f, kcal/mol:	-254.03
Dipole, Da:	4.23
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromothiophen-2-yl)-4-hydroxybut-2-ynoic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)C(=O)C(C(=C)C(=O)OCC)C(=C)C(=O)OCC

DOS

IR

Vibrations