Geometry & MOs

Info

ID:	264127
PubChem CID:	103430873
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	5.42
IP(EA), eV:	-9.38(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)C(=O)N(C2=O)C3=CC=CC=C3CO

DOS

IR

Vibrations