Geometry & MOs

Info

ID:	387842
PubChem CID:	134987108
Reduced:	BrNH10C12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	205.048741
ΔH_f, kcal/mol:	56.11
Dipole, Da:	3.61
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-8-oxopyrido[2,3-d]pyridazine-5-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/C1=CN=CC2=CC=CC=C21)/Br

DOS

IR

Vibrations