Geometry & MOs

Info

ID:	8610
PubChem CID:	79542
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	-146.45
Dipole, Da:	2.19
IP(EA), eV:	-10.35(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylcyclohexyl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)OC1CCC(CC1)C(C)(C)C

DOS

IR

Vibrations