Geometry & MOs

Info

ID:	294154
PubChem CID:	117428804
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	270.110338
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	7.88
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC(=C(C=C2F)C(=O)O)F)CN

DOS

IR

Vibrations