Geometry & MOs

Info

ID:	262523
PubChem CID:	103298252
Reduced:	FNO5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	295.121986
ΔH_f, kcal/mol:	-174.62
Dipole, Da:	7.44
IP(EA), eV:	-9.98(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl 2-fluoro-3-methyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCC2CCCCO2)[N+](=O)[O-]

DOS

IR

Vibrations