Geometry & MOs

Info

ID:	262524
PubChem CID:	103298265
Reduced:	FNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-143.57
Dipole, Da:	6.53
IP(EA), eV:	-10.61(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxypropan-2-yl 2-fluoro-3-methyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OC2CCCCCC2)[N+](=O)[O-]

DOS

IR

Vibrations