Geometry & MOs

Info

ID:	164120
PubChem CID:	74382040
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	433.076405
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	6.45
IP(EA), eV:	-8.83(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;8-[2-(trifluoromethoxy)anilino]-2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)N2CCC(C2)OC3=CC=C(C=C3)C4CCC(=O)NN4

DOS

IR

Vibrations