Geometry & MOs

Info

ID:	257070
PubChem CID:	103143541
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	1.96
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCCOCC(C1=CC=CC2=C1C=NC=C2)N

DOS

IR

Vibrations