Geometry & MOs

Info

ID:	309913
PubChem CID:	126566790
Reduced:	OC5H11 (2)
Stoich.:	AB5C11 (2)
Weight, g/mol:	444.23006
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	1.25
IP(EA), eV:	-9.47(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-propan-2-yl-2-(2-propan-2-ylbenzoyl)oxyphenyl] 2-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

CC(C)C(C(C)OC)C(C)OC

DOS

IR

Vibrations