Geometry & MOs

Info

ID:	230547
PubChem CID:	87571320
Reduced:	ClFON3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	36.13
Dipole, Da:	2.17
IP(EA), eV:	-9.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-ethyl-3-hexylbut-2-enedioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations