Geometry & MOs

Info

ID:	211603
PubChem CID:	81044536
Reduced:	N2O2C9H18 (1)
Stoich.:	A2B2C9D18 (1)
Weight, g/mol:	298.169271
ΔH_f, kcal/mol:	-78.42
Dipole, Da:	3.08
IP(EA), eV:	-8.99(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-fluoro-5-[methyl(2-propan-2-yloxyethyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(CC(=O)NO)C1CCCNC1

DOS

IR

Vibrations