Geometry & MOs

Info

ID:	52218
PubChem CID:	12015022
Reduced:	BrO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	247.110947
ΔH_f, kcal/mol:	0.11
Dipole, Da:	4.96
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5,10-dihydro-[1,2,4]triazolo[1,5-b]isoquinoline

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN(C1=N)NC(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations