Geometry & MOs

Info

ID:	257053
PubChem CID:	103143339
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	4.05
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-methoxy-2-methylbutan-1-one

Drug info:

PubChemData

Smile

C1CC2COC(CN2C1)C(=O)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations