Geometry & MOs

Info

ID:	52223
PubChem CID:	12015028
Reduced:	N3H19C20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	395.06332
ΔH_f, kcal/mol:	87.2
Dipole, Da:	3.75
IP(EA), eV:	-8.86(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)spiro[5H-[1,2,4]triazolo[1,5-b]isoquinoline-10,4'-oxane]

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=CC=CC=C3CN4C2=NC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations