Geometry & MOs

Info

ID:	24753
PubChem CID:	613011
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	4.73
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,8-trimethoxyisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C(=C2C=NC=CC2=C1)OC)OC

DOS

IR

Vibrations