Geometry & MOs

Info

ID:	257169
PubChem CID:	103144170
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	290.94658
ΔH_f, kcal/mol:	14.64
Dipole, Da:	5.52
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-isoquinolin-8-yl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations