Geometry & MOs

Info

ID:	209904
PubChem CID:	80738547
Reduced:	FON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	315.038771
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	3.23
IP(EA), eV:	-8.18(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[hydroxy(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C2=CC(=CC(=C2)N)OC(C)C

DOS

IR

Vibrations