Geometry & MOs

Info

ID:	126507
PubChem CID:	50966777
Reduced:	NC4H5 (5)
Stoich.:	AB4C5 (5)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	72.98
Dipole, Da:	2.84
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCN2C=NC(=C2C3=NC=CN3)C4=CC=CC=C4

DOS

IR

Vibrations