Geometry & MOs

Info

ID:	287681
PubChem CID:	104251684
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	2.25
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-5-yl-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(CC2=CSC=C2)N

DOS

IR

Vibrations