Geometry & MOs

Info

ID:	189024
PubChem CID:	77804893
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	2.94
IP(EA), eV:	-9.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-6-[4-methyl-3-(oxolan-3-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1C(C(=O)N(C(=O)N1)C2=CC=CC=C2)Cl

DOS

IR

Vibrations