Geometry & MOs

Info

ID:	256252
PubChem CID:	103137997
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	2.57
IP(EA), eV:	-9.12(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(thiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC3CNCCN3C2=O

DOS

IR

Vibrations