Geometry & MOs

Info

ID:	208090
PubChem CID:	80493806
Reduced:	NO2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	211.064471
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	2.21
IP(EA), eV:	-9.36(1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-(oxetan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(CCCO)NC1COC1

DOS

IR

Vibrations