Geometry & MOs

Info

ID:	80384
PubChem CID:	49834238
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	342.137971
ΔH_f, kcal/mol:	63.65
Dipole, Da:	4.9
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethoxy)-7-fluoro-3-(4-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC=C(C=C3)C(=O)NC4=NC=CC=N4

DOS

IR

Vibrations