Geometry & MOs

Info

ID:	221487
PubChem CID:	85273769
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	309.9953
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	5.65
IP(EA), eV:	-9.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(3,4-dimethoxyphenyl)-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C(=O)NNC2C3=CC=CC=C3)C(=O)Cl

DOS

IR

Vibrations