Geometry & MOs

Info

ID:	296257
PubChem CID:	117563994
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	212.05972
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	6.65
IP(EA), eV:	-8.64(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-fluoroanilino)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CC2CNCCN2C

DOS

IR

Vibrations