Geometry & MOs

Info

ID:	52222
PubChem CID:	12015027
Reduced:	ON3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	301.157898
ΔH_f, kcal/mol:	52.5
Dipole, Da:	4.44
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylspiro[5H-[1,2,4]triazolo[1,5-b]isoquinoline-10,1'-cyclopentane]

Drug info:

PubChemData

Smile

C1COCCC12C3=CC=CC=C3CN4C2=NC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations