Geometry & MOs

Info

ID:	294626
PubChem CID:	117474688
Reduced:	FN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-148.81
Dipole, Da:	8.56
IP(EA), eV:	-9.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-dimethoxy-6-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C(=C(C=C2)OC)COC)F

DOS

IR

Vibrations