Geometry & MOs

Info

ID:	441548
PubChem CID:	135236018
Reduced:	O2C16H23 (2)
Stoich.:	A2B16C23 (2)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-206.16
Dipole, Da:	6.7
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2-dimethyl-6-oxocyclohexyl) propanoate

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)C3CC4CCC3(C4(C)C)C

DOS

IR

Vibrations