Geometry & MOs

Info

ID:	21014
PubChem CID:	586762
Reduced:	O2C14H21 (2)
Stoich.:	A2B14C21 (2)
Weight, g/mol:	442.30831
ΔH_f, kcal/mol:	-227.97
Dipole, Da:	1.06
IP(EA), eV:	-10.23(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-methyl-2-propan-2-ylcyclohexyl) benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C)C(C)C

DOS

IR

Vibrations