Geometry & MOs

Info

ID:	291804
PubChem CID:	113584850
Reduced:	ClO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	317.07389
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	7.19
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NCC(C)(C)O)Cl

DOS

IR

Vibrations