Geometry & MOs

Info

ID:	80718
PubChem CID:	49836361
Reduced:	ClNO4H14C19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	394.068903
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	3.84
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-oxido-8-[[2-(trifluoromethoxy)phenyl]methoxy]pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations