Geometry & MOs

Info

ID:	294481
PubChem CID:	117463340
Reduced:	NF2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	287.116901
ΔH_f, kcal/mol:	-232.36
Dipole, Da:	7.52
IP(EA), eV:	-9.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(2-fluoro-3,5,6-trimethoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1OC)C2CC(CN2)C(=O)O)F)F

DOS

IR

Vibrations