Geometry & MOs

Info

ID:	257192
PubChem CID:	103144317
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	303.033003
ΔH_f, kcal/mol:	46.02
Dipole, Da:	4.65
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-6-isoquinolin-8-yl-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)N)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations