Geometry & MOs

Info

ID:	256057
PubChem CID:	103136699
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	280.10342
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	3.97
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(isoquinolin-8-yl)methanamine

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations