Geometry & MOs

Info

ID:	291833
PubChem CID:	113584974
Reduced:	ClN3O3C11H16 (1)
Stoich.:	AB3C3D11E16 (1)
Weight, g/mol:	311.03817
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	6.52
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-ethyl-5-[(1-methylpyrazol-3-yl)methylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(CO)(CO)NC1=C(C(=O)N(N=C1)CC=C)Cl

DOS

IR

Vibrations