Geometry & MOs

Info

ID:	255600
PubChem CID:	103133304
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-16.96
Dipole, Da:	4.42
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methyl-3-(methylamino)propan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCC3CCCCC3N2

DOS

IR

Vibrations