Geometry & MOs

Info

ID:	294341
PubChem CID:	117453678
Reduced:	FN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	5.06
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1COCCN1CC2=C(C=C(C=C2)C(CN)C(=O)O)F

DOS

IR

Vibrations