Geometry & MOs

Info

ID:	217241
PubChem CID:	85087488
Reduced:	O7C18H18 (1)
Stoich.:	A7B18C18 (1)
Weight, g/mol:	346.139194
ΔH_f, kcal/mol:	-277.17
Dipole, Da:	5.0
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2,2-dimethyl-5-(trifluoromethyl)-1,3-dioxolan-4-yl]-3-phenylpropyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C

DOS

IR

Vibrations