Geometry & MOs

Info

ID:	19217
PubChem CID:	558252
Reduced:	O4C27H48 (1)
Stoich.:	A4B27C48 (1)
Weight, g/mol:	436.35526
ΔH_f, kcal/mol:	-282.83
Dipole, Da:	1.94
IP(EA), eV:	-10.44(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-methyl-2-propan-2-ylcyclohexyl) 2-tert-butylpropanedioate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)C(C(=O)OC2CC(CCC2C(C)C)C)C(C)(C)C)C(C)C

DOS

IR

Vibrations