Geometry & MOs

Info

ID:	298728
PubChem CID:	117654985
Reduced:	N3O5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	321.072511
ΔH_f, kcal/mol:	-165.96
Dipole, Da:	7.95
IP(EA), eV:	-9.17(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC(=O)N1C2=NC3=C(C=C2)OCC(=O)N3)CCO

DOS

IR

Vibrations