Geometry & MOs

Info

ID:	221021
PubChem CID:	85248230
Reduced:	F3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-255.82
Dipole, Da:	2.92
IP(EA), eV:	-10.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 14,15-dioxapentacyclo[7.3.1.11,4.16,9.05,13]pentadeca-2,7-diene-13-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C=CC1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations