Geometry & MOs

Info

ID:	80242
PubChem CID:	49833706
Reduced:	FN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	314.082205
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	5.89
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=C(C3=C(C=C(C=C3)F)C(=O)N2)OCCN

DOS

IR

Vibrations