Geometry & MOs

Info

ID:	200167
PubChem CID:	79356765
Reduced:	FN2O5H7C8 (1)
Stoich.:	AB2C5D7E8 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	5.75
IP(EA), eV:	-10.19(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,4-dimethyl-6-nitrophenoxy)-2-fluoroacetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OC(C(=O)O)F)[N+](=O)[O-]

DOS

IR

Vibrations