Geometry & MOs

Info

ID:	181590
PubChem CID:	76764220
Reduced:	ClOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	238.064137
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	4.5
IP(EA), eV:	-9.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-fluorophenyl)-5-methyl-1,3-dioxole-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)C2=CC=CC=C21)Cl

DOS

IR

Vibrations