Geometry & MOs

Info

ID:	9413
PubChem CID:	89383
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-139.11
Dipole, Da:	2.29
IP(EA), eV:	-10.45(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-5-propan-2-ylcyclohexyl) acetate

Drug info:

PubChemData

Smile

CC1CCC(CC1OC(=O)C)C(C)C

DOS

IR

Vibrations