Geometry & MOs

Info

ID:	22573
PubChem CID:	597752
Reduced:	FNO4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	199.028086
ΔH_f, kcal/mol:	-102.42
Dipole, Da:	5.5
IP(EA), eV:	-10.88(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-nitrobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)[N+](=O)[O-]

DOS

IR

Vibrations