Geometry & MOs

Info

ID:	80385
PubChem CID:	49834250
Reduced:	FN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	376.098998
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	8.17
IP(EA), eV:	-8.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations