Geometry & MOs

Info

ID:	268351
PubChem CID:	103599030
Reduced:	FN3O5H12C16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	396.123383
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	3.2
IP(EA), eV:	-10.2(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations