Geometry & MOs

Info

ID:	288543
PubChem CID:	104319246
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-137.43
Dipole, Da:	4.48
IP(EA), eV:	-9.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutyl)cyclooctane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCC1(CC2=CC=CC=C2C1)C(=O)O)O

DOS

IR

Vibrations