Geometry & MOs

Info

ID:	388023
PubChem CID:	134987880
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-126.05
Dipole, Da:	5.14
IP(EA), eV:	-9.76(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propanoylcyclohexyl) acetate

Drug info:

PubChemData

Smile

CC(=C)C1CC(=O)C(C=C1)(C)CCC(OC)OC

DOS

IR

Vibrations