Geometry & MOs

Info

ID:	322259
PubChem CID:	126669551
Reduced:	N2F3O6H21C24 (1)
Stoich.:	A2B3C6D21E24 (1)
Weight, g/mol:	329.09108
ΔH_f, kcal/mol:	-332.61
Dipole, Da:	7.33
IP(EA), eV:	-9.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-(2-fluoro-4-methoxyphenyl)-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NCC2=CC=CC=C2OC3=CC=C(C=C3)C(=O)O)C(F)(F)F)CO

DOS

IR

Vibrations