Geometry & MOs

Info

ID:	231849
PubChem CID:	87574771
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	200.060407
ΔH_f, kcal/mol:	-137.47
Dipole, Da:	0.58
IP(EA), eV:	-9.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-chloroprop-1-enyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)NOC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations