Geometry & MOs

Info

ID:	137219
PubChem CID:	52172771
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	305.069951
ΔH_f, kcal/mol:	46.76
Dipole, Da:	6.15
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluoro-4-nitrophenoxy)-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C3CC3

DOS

IR

Vibrations