Geometry & MOs

Info

ID:	178948
PubChem CID:	76405975
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	324.14605
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	10.49
IP(EA), eV:	-9.08(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-[4-(2-phenylpropyl)triazol-1-yl]ethyl]pyridazin-1-ium-3,6-dione

Drug info:

PubChemData

Smile

CCNC(=O)C1CCCN1CC2C=C3C=C4CCCC4=CC3=NC2=O

DOS

IR

Vibrations