Geometry & MOs

Info

ID:	387872
PubChem CID:	134987215
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	10.51
IP(EA), eV:	-8.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCCC1=CC2=CC(=O)C=C(C2=CN1)O

DOS

IR

Vibrations