Geometry & MOs

Info

ID:	78710
PubChem CID:	49703883
Reduced:	FN4O5H19C21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	459.05938
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	10.99
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations