Geometry & MOs

Info

ID:	256515
PubChem CID:	103139678
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	285.093583
ΔH_f, kcal/mol:	40.49
Dipole, Da:	3.55
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-propylthiadiazol-5-yl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations