Geometry & MOs

Info

ID:	280122
PubChem CID:	103847038
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	347.00918
ΔH_f, kcal/mol:	4.48
Dipole, Da:	2.4
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC2=NC=CC3=C2C=CC=C3Br

DOS

IR

Vibrations