Geometry & MOs

Info

ID:	146384
PubChem CID:	53679612
Reduced:	O5C25H42 (1)
Stoich.:	A5B25C42 (1)
Weight, g/mol:	222.117528
ΔH_f, kcal/mol:	-241.24
Dipole, Da:	6.94
IP(EA), eV:	-9.87(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)cyclooctane

Drug info:

PubChemData

Smile

CCCCCCC(CC=C[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)(CC#C)O

DOS

IR

Vibrations