Geometry & MOs

Info

ID:	299478
PubChem CID:	117683275
Reduced:	O4C12H15 (2)
Stoich.:	A4B12C15 (2)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-316.1
Dipole, Da:	6.28
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-benzoyloxy-2-(hydroxymethyl)butoxy]-2-methylbutan-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(COCC(C)(CO)OC(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations