Geometry & MOs

Info

ID:	78671
PubChem CID:	49703689
Reduced:	ClO2N3F4H14C20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	7.1
IP(EA), eV:	-9.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations