Geometry & MOs

Info

ID:	201143
PubChem CID:	79495734
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	2.79
IP(EA), eV:	-9.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diethoxy-1-isoquinolin-5-ylethanone

Drug info:

PubChemData

Smile

CCOC(C(=O)C1=C(C=CN=C1)C)OCC

DOS

IR

Vibrations