Geometry & MOs

Info

ID:	403152
PubChem CID:	135058992
Reduced:	FN3O5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	257.091275
ΔH_f, kcal/mol:	-138.18
Dipole, Da:	8.59
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyltriazolo[4,5-g]phthalazine-4,9-dione

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C(O[C@@H]2O1)CN3C(=C(N=N3)C(=O)C4=CC=C(C=C4)F)C5=CC6=CC=CC=C6C=C5)O)C

DOS

IR

Vibrations