Geometry & MOs

Info

ID:	257056
PubChem CID:	103143400
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	5.01
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methylpyridin-2-yl)methanol

Drug info:

PubChemData

Smile

COC(C1CCCCC1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations