Geometry & MOs

Info

ID:	25342
PubChem CID:	623368
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	488.080726
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	6.7
IP(EA), eV:	-9.08(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=CC(=C(C=C13)OC)OC)C(=O)NC2=O

DOS

IR

Vibrations