Geometry & MOs

Info

ID:	136881
PubChem CID:	52118276
Reduced:	FO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	1.6
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations