Geometry & MOs

Info

ID:	256713
PubChem CID:	103140892
Reduced:	ClNC15H16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	12.32
Dipole, Da:	2.93
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-aminoisoquinolin-8-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CC(C1)Cl)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations