Geometry & MOs

Info

ID:	190739
PubChem CID:	78050231
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	6.0
Dipole, Da:	3.93
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-2-(piperidin-1-ylmethyl)-9bH-[1,3]thiazolo[5,4-c]isoquinolin-5-one

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)C2=CC(=NN2C3=CC=CC=C3)NC(=O)C4CNC(=O)N4

DOS

IR

Vibrations