Geometry & MOs

Info

ID:	183301
PubChem CID:	77004469
Reduced:	FON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-38.36
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-3-yl)-2-thiophen-2-ylprop-2-enoic acid

Drug info:

PubChemData

Smile

CN(C1CCCCCC1)C2=C(C=C(C=C2)F)C(=NO)N

DOS

IR

Vibrations