Geometry & MOs

Info

ID:	374356
PubChem CID:	131327390
Reduced:	BrClNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	2.78
IP(EA), eV:	-10.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-aminoethyl)-6-pyridin-4-yl-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=CC(=C1)C#N)CBr)Cl

DOS

IR

Vibrations