Geometry & MOs

Info

ID:	266602
PubChem CID:	103574750
Reduced:	O5C14H24 (1)
Stoich.:	A5B14C24 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-235.91
Dipole, Da:	2.06
IP(EA), eV:	-9.84(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-oxocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC1=O)CCOCCOC

DOS

IR

Vibrations