Geometry & MOs

Info

ID:	25572
PubChem CID:	626623
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	4.24
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-hydroxy-6-methoxyisoquinolin-1-yl)methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)F)N3CCCCC3

DOS

IR

Vibrations