Geometry & MOs

Info

ID:	30092
PubChem CID:	839838
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	161.107873
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	5.02
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,6,8-trimethylpyrazolo[1,2-a]pyridazin-4-ium

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=C/3\C(=O)N(C(=S)N3)C

DOS

IR

Vibrations