Geometry & MOs

Info

ID:	257091
PubChem CID:	103143713
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	291.083019
ΔH_f, kcal/mol:	112.89
Dipole, Da:	3.6
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(thieno[3,2-b]pyridin-6-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=NNN=C3)N

DOS

IR

Vibrations