Geometry & MOs

Info

ID:	32233
PubChem CID:	6436046
Reduced:	O6C21H34 (1)
Stoich.:	A6B21C34 (1)
Weight, g/mol:	286.102751
ΔH_f, kcal/mol:	-287.3
Dipole, Da:	6.62
IP(EA), eV:	-9.43(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(5-propan-2-ylthiophen-2-yl)prop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

CCOCC(C)(C)[C@H](/C=C/[C@@H]1[C@H](CC(=O)[C@H]1C/C=C\CCCC(=O)O)O)O

DOS

IR

Vibrations