Geometry & MOs

Info

ID:	294404
PubChem CID:	117459383
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	285.137636
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	12.33
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=C(C=C2)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations