Geometry & MOs

Info

ID:	291821
PubChem CID:	113584895
Reduced:	ClO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	313.07897
ΔH_f, kcal/mol:	-86.5
Dipole, Da:	4.75
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NCC(C)CCO)Cl

DOS

IR

Vibrations