Geometry & MOs

Info

ID:	267909
PubChem CID:	103590278
Reduced:	FN2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	212.096106
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	2.57
IP(EA), eV:	-8.26(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CCC(C2)C3=CC=CC=C3

DOS

IR

Vibrations