Geometry & MOs

Info

ID:	209005
PubChem CID:	80611257
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	5.02
IP(EA), eV:	-9.48(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-but-2-enyl]cyclooctane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCCC(CCC1)(C/C=C/C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations