Geometry & MOs

Info

ID:	164121
PubChem CID:	74382041
Reduced:	KF3O3N5H15C17 (1)
Stoich.:	AB3C3D5E15F17 (1)
Weight, g/mol:	421.136174
ΔH_f, kcal/mol:	-244.14
Dipole, Da:	12.24
IP(EA), eV:	-7.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-2-[N-(trifluoromethoxy)anilino]-1,4,5,5a-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CN=C(N=C2C3C1C(NN3)C(=O)[O-])NC4=CC=CC=C4OC(F)(F)F.[K+]

DOS

IR

Vibrations