Geometry & MOs

Info

ID:	256387
PubChem CID:	103138932
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	3.15
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(2-methoxypyridin-3-yl)methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations