Geometry & MOs

Info

ID:	256304
PubChem CID:	103138326
Reduced:	BrON2F3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	284.109568
ΔH_f, kcal/mol:	-138.22
Dipole, Da:	6.83
IP(EA), eV:	-9.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-methyl-8-N-[(4-methyl-1,3-thiazol-5-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=C(C=C2)Br)C(F)(F)F)O

DOS

IR

Vibrations