Geometry & MOs

Info

ID:	78669
PubChem CID:	49703686
Reduced:	O2N3F5H14C20 (1)
Stoich.:	A2B3C5D14E20 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-246.76
Dipole, Da:	8.85
IP(EA), eV:	-9.45(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations