Geometry & MOs

Info

ID:	52219
PubChem CID:	12015023
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	325.02146
ΔH_f, kcal/mol:	96.11
Dipole, Da:	3.99
IP(EA), eV:	-8.9(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN3C1=NC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations