Geometry & MOs

Info

ID:	260245
PubChem CID:	103186280
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	262.080536
ΔH_f, kcal/mol:	3.25
Dipole, Da:	1.83
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-5-(2-fluoro-5-methylphenyl)benzoate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1[N+](=O)[O-])C)CN2CCCC(C2)N

DOS

IR

Vibrations