Geometry & MOs

Info

ID:	221520
PubChem CID:	85273811
Reduced:	SO5C15H20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-203.55
Dipole, Da:	4.2
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-phenyl-3-(2,3,5-trimethylphenoxy)propyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C2OCCC3)O

DOS

IR

Vibrations