Geometry & MOs

Info

ID:	193854
PubChem CID:	78448501
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	207.11201
ΔH_f, kcal/mol:	63.77
Dipole, Da:	6.89
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4,5-diamino-3,7-dimethyl-5H-pyrido[3,4-d]pyridazine-3,6-diium-1-one

Drug info:

PubChemData

Smile

CCCC(=O)C1C(=N)C(=C(C1(C#N)C2=CC=CC=C2)N3CCCCC3)C#N

DOS

IR

Vibrations