Geometry & MOs

Info

ID:	48163
PubChem CID:	10537629
Reduced:	O2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	234.069222
ΔH_f, kcal/mol:	-224.94
Dipole, Da:	3.97
IP(EA), eV:	-10.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3-fluorophenyl)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C=C[C@@]1(C[C@H]2CC[C@@H]1C2)OC(=O)C(F)(F)F

DOS

IR

Vibrations