Geometry & MOs

Info

ID:	122574
PubChem CID:	50812861
Reduced:	FON4H15C23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	434.15902
ΔH_f, kcal/mol:	57.49
Dipole, Da:	7.2
IP(EA), eV:	-8.35(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CN4C3=NN=C4C5=CC=CC=C5F

DOS

IR

Vibrations