Geometry & MOs

Info

ID:	256516
PubChem CID:	103139680
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	236.094963
ΔH_f, kcal/mol:	47.12
Dipole, Da:	3.91
IP(EA), eV:	-9.49(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(pyridin-3-yl)methanol

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations