Geometry & MOs

Info

ID:	255706
PubChem CID:	103134137
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	289.056135
ΔH_f, kcal/mol:	4.28
Dipole, Da:	3.94
IP(EA), eV:	-8.09(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl(isoquinolin-8-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C=N2)C3=CC=C(C=C3)N

DOS

IR

Vibrations