Geometry & MOs

Info

ID:	220300
PubChem CID:	85177273
Reduced:	O2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	244.094688
ΔH_f, kcal/mol:	-211.47
Dipole, Da:	4.03
IP(EA), eV:	-10.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(methoxymethoxy)-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations