Geometry & MOs

Info

ID:	262513
PubChem CID:	103297921
Reduced:	NO2F4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-293.67
Dipole, Da:	5.65
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-ylethyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCCCC(F)(F)F)N

DOS

IR

Vibrations