Geometry & MOs

Info

ID:	262515
PubChem CID:	103297943
Reduced:	FNO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-205.92
Dipole, Da:	5.4
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutylamino)-2-oxoethyl] 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCCOCCO)N

DOS

IR

Vibrations