Geometry & MOs

Info

ID:	8576
PubChem CID:	79253
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-180.27
Dipole, Da:	2.28
IP(EA), eV:	-10.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-cyclohexyl 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2

DOS

IR

Vibrations