Geometry & MOs

Info

ID:	78681
PubChem CID:	49703735
Reduced:	FN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	3.42
IP(EA), eV:	-9.51(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations