Geometry & MOs

Info

ID:	80333
PubChem CID:	49834069
Reduced:	FN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	8.12
IP(EA), eV:	-8.37(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethoxy)-3-(3-chlorophenyl)-5-methyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C(=C(NC2=O)C3=CC=CC=C3)OCCCN4CCCCC4)F

DOS

IR

Vibrations