Geometry & MOs

Info

ID:	256456
PubChem CID:	103139326
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	249.115364
ΔH_f, kcal/mol:	-19.69
Dipole, Da:	1.96
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations