Geometry & MOs

Info

ID:	167772
PubChem CID:	74872648
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	246.087866
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	5.43
IP(EA), eV:	-8.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(2-aminophenoxy)ethyl]pyridazin-1-ium-3,6-dione

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=C(C=CC(=C2)Br)C=CC(=O)O)C(=O)N

DOS

IR

Vibrations